CMAUP Plant Ingredients

17 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

6 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC74259
Formula: C49H76O19

Common Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-2-Methyloxan-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-4-Yl] Acetate
IUPAC Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24-,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
Standard InCHIKey	YFGQJKBUXPKSAW-YSTAXILLSA-N
Ingredient External Links	PubChem CID: 10819737 ChEMBL ID: CHEMBL3391717
Plant-Ingredient Association Reference	Database: UNPD [UNPD72548] Database: NPASS [NPC74259]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC72260
Formula: C41H64O13

Common Name	Digitoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
Standard InCHIKey	WDJUZGPOPHTGOT-XUDUSOBPSA-N
Ingredient External Links	PubChem CID: 441207 ZINC ID: ZINC000095862733 ChEMBL ID: CHEMBL254219
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC72260]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC60056
Formula: C49H76O20

Common Name	n.a.
IUPAC Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
Standard InCHIKey	XVAPNQFQPDAROQ-CAPSWCROSA-N
Ingredient External Links	PubChem CID: 72604
Plant-Ingredient Association Reference	Database: UNPD [UNPD186350]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC5785
Formula: C49H76O20

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@H]3C2=CCOC2=O)O)C)C)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O20/c1-21-42(67-36-17-31(53)43(22(2)62-36)68-37-18-33(64-24(4)51)44(23(3)63-37)69-46-41(57)40(56)39(55)34(20-50)66-46)30(52)16-35(61-21)65-26-9-12-47(5)25(15-26)7-8-29-28(47)10-13-48(6)38(27-11-14-60-45(27)58)32(54)19-49(29,48)59/h11,21-23,25-26,28-44,46,50,52-57,59H,7-10,12-20H2,1-6H3/t21-,22-,23-,25-,26+,28+,29-,30+,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,46+,47+,48-,49+/m1/s1
Standard InCHIKey	FNBWVROKJBBUAG-MDVCOEFCSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD10970]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC41586
Formula: C43H66O14

Common Name	n.a.
IUPAC Name	[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C
Standard InCHI	InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
Standard InCHIKey	HPMZBILYSWLILX-UMDUKNJSSA-N
Ingredient External Links	PubChem CID: 5284512
Plant-Ingredient Association Reference	Database: UNPD [UNPD9817]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC308492
Formula: C49H76O20

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CCOC2=O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O20/c1-21-42(67-37-18-32(53)43(22(2)62-37)68-38-19-33(64-24(4)51)44(23(3)63-38)69-46-41(57)40(56)39(55)34(20-50)66-46)31(52)17-36(61-21)65-26-9-12-47(5)25(15-26)7-8-29-30(47)16-35(54)48(6)28(10-13-49(29,48)59)27-11-14-60-45(27)58/h11,21-23,25-26,28-44,46,50,52-57,59H,7-10,12-20H2,1-6H3/t21-,22-,23-,25-,26+,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,46+,47+,48+,49+/m1/s1
Standard InCHIKey	GFBRXNQJOYVBDW-CGYTUYIDSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD125185]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC288816
Formula: C30H46O9

Common Name	n.a.
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)O[C@@H]([C@@H]1O)C
Standard InCHI	InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1
Standard InCHIKey	CPFNIKYEDJFRAT-RVPZLBNISA-N
Ingredient External Links	PubChem CID: 21636336
Plant-Ingredient Association Reference	Database: UNPD [UNPD58617]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Nerium oleander	Nerium	Apocynaceae
Cordyline fruticosa	Cordyline	Asparagaceae
Veronica pectinata	Veronica	Plantaginaceae
Plantago lanceolata	Plantago	Plantaginaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Tripodanthus acutifolius	Tripodanthus	Loranthaceae
Croton rhamnifolius	Croton	Euphorbiaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Scutellaria seleriana	Scutellaria	Lamiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Cytisus scoparius	Cytisus	Fabaceae
Aconitum brevicalcaratum	Aconitum	Ranunculaceae
Crinum kirkii	Crinum	Amaryllidaceae
Isodon japonicus	Isodon	Lamiaceae
Atropa belladona	Atropa	Solanaceae
Hypericum triquetrifolium	Hypericum	Hypericaceae
Ammodendron conollyi	Ammodendron	Fabaceae
Cirsium dipsacolepis	Cirsium	Asteraceae
Mesembryanthemum anatomicum	Mesembryanthemum	Aizoaceae
Malva sylvestris	Malva	Malvaceae
Viguiera annua	Viguiera	Asteraceae
Digitalis purpurea	Digitalis	Plantaginaceae
Eria subsessilis	Eria	Orchidaceae
Cocculus diversifolius	Cocculus	Menispermaceae
Myrica multiflora	Myrica	Myricaceae
Trifolium apertum	Trifolium	Fabaceae
Solanum racemigerum	Solanum	Solanaceae
Teucrium pestalozzae	Teucrium	Lamiaceae
Knightia deplanchei	Knightia	Proteaceae
Ptilidium ciliare	Ptilidium	Ptilidiaceae

Ingredient ID: NPC255569
Formula: C47H74O19

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@H]3C2=CCOC2=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C47H74O19/c1-20-40(64-34-16-29(50)41(21(2)60-34)65-35-17-30(51)42(22(3)61-35)66-44-39(55)38(54)37(53)32(19-48)63-44)28(49)15-33(59-20)62-24-8-11-45(4)23(14-24)6-7-27-26(45)9-12-46(5)36(25-10-13-58-43(25)56)31(52)18-47(27,46)57/h10,20-24,26-42,44,48-55,57H,6-9,11-19H2,1-5H3/t20-,21-,22-,23-,24+,26+,27-,28+,29+,30+,31+,32-,33+,34+,35+,36-,37-,38+,39-,40-,41-,42-,44+,45+,46-,47+/m1/s1
Standard InCHIKey	FAGJLZBHFXTNAB-BXXHXKGSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD56765]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC237067
Formula: C36H56O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@H]3C2=CCOC2=O)O)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C36H56O14/c1-16-29(50-32-27(41)26(40)25(39)23(15-37)49-32)30(45-4)28(42)33(47-16)48-18-7-10-34(2)17(13-18)5-6-21-20(34)8-11-35(3)24(19-9-12-46-31(19)43)22(38)14-36(21,35)44/h9,16-18,20-30,32-33,37-42,44H,5-8,10-15H2,1-4H3/t16-,17-,18+,20+,21-,22+,23-,24-,25-,26+,27-,28-,29+,30-,32+,33+,34+,35-,36+/m1/s1
Standard InCHIKey	FEVOMNKPGSCTSZ-BRIONVFCSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD3295]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC231518
Formula: C36H56O14

Common Name	n.a.
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
Standard InCHIKey	CKNOLMVLQUPVMU-YMMLYESFSA-N
Ingredient External Links	PubChem CID: 441856
Plant-Ingredient Association Reference	Database: UNPD [UNPD99158] Database: NPASS [NPC231518]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Nerium oleander	Nerium	Apocynaceae
Cordyline fruticosa	Cordyline	Asparagaceae
Veronica pectinata	Veronica	Plantaginaceae
Plantago lanceolata	Plantago	Plantaginaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Tripodanthus acutifolius	Tripodanthus	Loranthaceae
Croton rhamnifolius	Croton	Euphorbiaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Scutellaria seleriana	Scutellaria	Lamiaceae
Cytisus scoparius	Cytisus	Fabaceae
Aconitum brevicalcaratum	Aconitum	Ranunculaceae
Crinum kirkii	Crinum	Amaryllidaceae
Isodon japonicus	Isodon	Lamiaceae
Atropa belladona	Atropa	Solanaceae
Hypericum triquetrifolium	Hypericum	Hypericaceae
Ammodendron conollyi	Ammodendron	Fabaceae
Cirsium dipsacolepis	Cirsium	Asteraceae
Mesembryanthemum anatomicum	Mesembryanthemum	Aizoaceae
Malva sylvestris	Malva	Malvaceae
Viguiera annua	Viguiera	Asteraceae
Eria subsessilis	Eria	Orchidaceae
Cocculus diversifolius	Cocculus	Menispermaceae
Myrica multiflora	Myrica	Myricaceae
Trifolium apertum	Trifolium	Fabaceae
Solanum racemigerum	Solanum	Solanaceae
Teucrium pestalozzae	Teucrium	Lamiaceae
Knightia deplanchei	Knightia	Proteaceae
Ptilidium ciliare	Ptilidium	Ptilidiaceae

Ingredient ID: NPC208193
Formula: C47H74O19

Common Name	Deslanoside
IUPAC Name	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
Standard InCHIKey	OBATZBGFDSVCJD-LALPQLPRSA-N
Ingredient External Links	PubChem CID: 28620 ChEMBL ID: CHEMBL1614
Plant-Ingredient Association Reference	Database: UNPD [UNPD23008] Database: NPASS [NPC208193]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC193893
Formula: C41H64O14

Common Name	Gitoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
Standard InCHIKey	LKRDZKPBAOKJBT-CNPIRKNPSA-N
Ingredient External Links	PubChem CID: 91540 ZINC ID: ZINC000238809171 ChEMBL ID: CHEMBL109317
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC193893]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC173555
Formula: C41H64O14

Common Name	Digoxin
IUPAC Name	3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
Standard InCHI	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
Standard InCHIKey	LTMHDMANZUZIPE-PUGKRICDSA-N
Ingredient External Links	PubChem CID: 2724385 ChEMBL ID: CHEMBL1751
Plant-Ingredient Association Reference	Database: UNPD [UNPD167175] Database: NPASS [NPC173555]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Ingredient ID: NPC147543
Formula: C41H64O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CCOC2=O)C)C)O[C@@H]([C@H]1O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)C
Standard InCHI	InChI=1S/C41H64O14/c1-19-35(46)28(42)16-33(50-19)54-37-21(3)52-34(18-30(37)44)55-36-20(2)51-32(17-29(36)43)53-23-8-11-39(4)22(14-23)6-7-26-27(39)15-31(45)40(5)25(9-12-41(26,40)48)24-10-13-49-38(24)47/h10,19-23,25-37,42-46,48H,6-9,11-18H2,1-5H3/t19-,20-,21-,22-,23+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,39+,40+,41+/m1/s1
Standard InCHIKey	HXJRGSFMHNTBIK-UFQNXWCKSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD179033]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC146787
Formula: C41H64O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CCOC2=O)O)C)C)O[C@@H]([C@H]1O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)C
Standard InCHI	InChI=1S/C41H64O14/c1-19-35(46)27(42)15-32(50-19)54-37-21(3)52-33(17-29(37)44)55-36-20(2)51-31(16-28(36)43)53-23-8-11-39(4)22(14-23)6-7-26-25(39)9-12-40(5)34(24-10-13-49-38(24)47)30(45)18-41(26,40)48/h10,19-23,25-37,42-46,48H,6-9,11-18H2,1-5H3/t19-,20-,21-,22-,23+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,39+,40-,41+/m1/s1
Standard InCHIKey	OCEDEAQHBIGPTE-AOJBDTRXSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD105270]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC138125
Formula: C47H74O19

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@H]3C2=CCOC2=O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C47H74O19/c1-20-40(64-35-17-30(50)41(21(2)60-35)65-36-18-31(51)42(22(3)61-36)66-44-39(55)38(54)37(53)32(19-48)63-44)29(49)16-34(59-20)62-24-8-11-45(4)23(14-24)6-7-27-28(45)15-33(52)46(5)26(9-12-47(27,46)57)25-10-13-58-43(25)56/h10,20-24,26-42,44,48-55,57H,6-9,11-19H2,1-5H3/t20-,21-,22-,23-,24+,26+,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,42-,44+,45+,46+,47+/m1/s1
Standard InCHIKey	JCVPZBJISNEYCM-DFPIOUJNSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD184255]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Atropa belladona	Atropa	Solanaceae

Ingredient ID: NPC117445
Formula: C49H76O20

Common Name	Lanatoside C
IUPAC Name	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
Standard InCHIKey	JAYAGJDXJIDEKI-PTGWOZRBSA-N
Ingredient External Links	PubChem CID: 656630 ChEMBL ID: CHEMBL506569
Plant-Ingredient Association Reference	Database: UNPD [UNPD27775] Database: NPASS [NPC117445]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cordyline fruticosa	Cordyline	Asparagaceae
Phoenix canariensis	Phoenix	Arecaceae
Luffa aegyptiaca	Luffa	Cucurbitaceae
Aria arguta	Aria	Rosaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Erysimum repandum	Erysimum	Brassicaceae
Rubus coreanus	Rubus	Rosaceae
Begonia glabra	Begonia	Begoniaceae
Strychnos splendens	Strychnos	Loganiaceae
Digitalis lanata	Digitalis	Plantaginaceae
Atropa belladona	Atropa	Solanaceae
Digitalis purpurea	Digitalis	Plantaginaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC117445	C49H76O20	Lanatoside C	984.49	-5.046	4.65	1.377	20	8	288.28	26	9	69	3
NPC138125	C47H74O19		942.4824301	-5.3184	4.54	0.967	19	9	282.21	10	9	66	2
NPC146787	C41H64O14		780.4296067	-3.7647	4.43	2.715	14	6	203.06	7	8	55	2
NPC147543	C41H64O14		780.4296067	-3.5715	4.43	2.504	14	6	203.06	7	8	55	2
NPC173555	C41H64O14	Digoxin	780.43	-3.6782	4.43	2.174	14	6	203.06	18	8	55	2
NPC193893	C41H64O14	Gitoxin	780.43	-3.8714	4.43	2.385	14	6	203.06	18	8	55	2
NPC208193	C47H74O19	Deslanoside	942.48	-5.4251	4.54	0.637	19	9	282.21	24	9	66	2
NPC231518	C36H56O14		712.3670065	-3.3841	3.88	0.803	14	7	214.06	18	7	50	2
NPC237067	C36H56O14		712.3670065	-3.2774	3.88	1.133	14	7	214.06	7	7	50	2
NPC255569	C47H74O19		942.4824301	-5.5116	4.54	1.178	19	9	282.21	10	9	66	2
NPC288816	C30H46O9	3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one	550.3141831	-1.6372	3.77	1.911	9	4	134.91	4	6	39	0
NPC308492	C49H76O20		984.4929948	-4.9393	4.65	1.707	20	8	288.28	12	9	69	3
NPC41586	C43H66O14	[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate	806.4452568	-2.726	4.65	3.726	14	4	188.9	9	8	57	1
NPC5785	C49H76O20		984.4929948	-5.1325	4.65	1.918	20	8	288.28	12	9	69	3
NPC60056	C49H76O20	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate	984.4929948	-5.2392	4.65	1.588	20	8	288.28	12	9	69	3
NPC72260	C41H64O13	Digitoxin	764.43	-3.1051	4.54	3.415	13	5	182.83	17	8	54	1
NPC74259	C49H76O19	[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyloxan-3-Yl]Oxy-2-Methyloxan-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-4-Yl] Acetate	968.5	-4.4729	4.76	2.618	19	7	268.05	25	9	68	3

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1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties