37 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC9498
Formula: C48H76O19

Ingredient ID: NPC90096
Formula: C48H78O19

Ingredient ID: NPC7645
Formula: C48H76O20

Ingredient ID: NPC74418
Formula: C66H106O33

Ingredient ID: NPC68464
Formula: C48H76O19

Ingredient ID: NPC62307
Formula: C48H78O17

Ingredient ID: NPC57954
Formula: C30H46O6

Ingredient ID: NPC5290
Formula: C48H76O19

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC41518
Formula: C48H78O19

Ingredient ID: NPC312971
Formula: C48H78O20S

Ingredient ID: NPC307122
Formula: C30H46O5

Ingredient ID: NPC304110
Formula: C39H54O6

Ingredient ID: NPC294438
Formula: C30H48O3

Ingredient ID: NPC287207
Formula: C48H76O19

Ingredient ID: NPC27518
Formula: C39H54O6

Ingredient ID: NPC272713
Formula: C18H32O15

Ingredient ID: NPC271974
Formula: C30H48O6S

Ingredient ID: NPC267691
Formula: C30H46O3

Ingredient ID: NPC261096
Formula: C30H46O5

Ingredient ID: NPC248222
Formula: C48H78O19

Ingredient ID: NPC247312
Formula: C30H48O6S

Ingredient ID: NPC244940
Formula: C53H86O22

Ingredient ID: NPC241909
Formula: C53H86O22

Ingredient ID: NPC213832
Formula: C30H46O5

Ingredient ID: NPC213645
Formula: C30H46O5

Ingredient ID: NPC189224
Formula: C30H48O5

Ingredient ID: NPC179215
Formula: C36H58O8

Ingredient ID: NPC172311
Formula: C39H54O6

Ingredient ID: NPC172206
Formula: C48H78O19

Ingredient ID: NPC16712
Formula: C66H106O33

Ingredient ID: NPC146563
Formula: C48H76O19

Ingredient ID: NPC14319
Formula: C48H78O19

Ingredient ID: NPC136923
Formula: C48H76O19

Ingredient ID: NPC129854
Formula: C54H88O22

Ingredient ID: NPC118033
Formula: C40H56O7

Ingredient ID: NPC110676
Formula: C30H46O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110676 C30H46O6 502.3294392 0.7014 4.1 6.101 6 4 115.06 3 5 36 1
NPC118033 C40H56O7 648.4026041 1.4793 5.09 9.764 5 3 113.29 17 6 47 1
NPC129854 C54H88O22 1088.576724 -4.2956 4.98 4.193 22 13 353.9 13 9 76 3
NPC136923 C48H76O19 956.4980802 -3.7756 4.65 4.193 19 11 312.05 11 8 67 3
NPC14319 C48H78O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 958.5137303 -4.0818 4.65 3.431 19 12 315.21 10 8 67 2
NPC146563 C48H76O19 956.4980802 -3.4305 4.65 4.291 19 11 312.05 28 8 67 3
NPC16712 C66H106O33 (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 1426.661636 -7.9069 5.09 0.921 33 19 529.27 18 11 99 3
NPC172206 C48H78O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 958.5137303 -4.7278 4.65 3.333 19 12 315.21 10 8 67 2
NPC172311 C39H54O6 618.3920394 1.3147 5.09 9.695 5 3 104.06 15 6 45 1
NPC179215 C36H58O8 618.4131688 0.2575 4.54 8.201 8 5 136.68 5 6 44 1
NPC189224 C30H48O5 (1S,2R,4aS,6aR,6aS,6bR,8aS,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 488.3501746 0.1704 4.21 7.439 5 4 97.99 2 5 35 1
NPC213645 C30H46O5 486.3345246 1.1226 4.21 8.299 5 3 94.83 3 5 35 1
NPC213832 C30H46O5 486.3345246 1.4677 4.21 8.397 5 3 94.83 11 5 35 1
NPC241909 C53H86O22 Cauloside D 1074.56 -5.0953 4.87 2.949 22 13 353.9 32 9 75 3
NPC244940 C53H86O22 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 1074.561074 -5.7413 4.87 2.851 22 13 353.9 12 9 75 3
NPC247312 C30H48O6S Betulinic Acid Sulfate 536.32 2.3007 3.99 8.11 6 2 109.28 12 5 37 1
NPC248222 C48H78O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 958.5137303 -4.0818 4.65 3.431 19 12 315.21 10 8 67 2
NPC261096 C30H46O5 486.3345246 0.602 4.21 7.944 5 3 94.83 2 5 35 1
NPC267691 C30H46O3 Oleanonic Acid 454.34 2.6995 4.43 8.445 3 1 54.37 9 5 33 1
NPC271974 C30H48O6S 3-Epi-Betulinic Acid 3-O-Sulfate 536.32 2.3007 3.99 8.11 6 2 109.28 12 5 37 1
NPC272713 C18H32O15 (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol 488.1741203 -5.5072 1.79 -4.497 15 10 248.45 6 3 33 2
NPC27518 C39H54O6 618.3920394 1.5311 5.09 10.419 5 3 104.06 15 6 45 1
NPC287207 C48H76O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 956.4980802 -3.8255 4.65 3.538 19 11 312.05 10 8 67 2
NPC294438 C30H48O3 456.3603454 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC304110 C39H54O6 618.3920394 1.5311 5.09 10.419 5 3 104.06 15 6 45 1
NPC307122 C30H46O5 486.3345246 1.4677 4.21 8.397 5 3 94.83 3 5 35 1
NPC312971 C48H78O20S 1006.480716 -2.5975 4.43 4.004 20 10 326.5 12 8 69 3
NPC41518 C48H78O19 958.5137303 -4.7278 4.65 3.333 19 12 315.21 10 8 67 2
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC5290 C48H76O19 (3R,4S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid 956.4980802 -4.2962 4.65 3.838 19 11 312.05 10 8 67 2
NPC57954 C30H46O6 502.3294392 0.7014 4.1 6.101 6 4 115.06 12 5 36 1
NPC62307 C48H78O17 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate 926.523901 -2.5487 4.87 5.301 17 10 274.75 10 8 65 3
NPC68464 C48H76O19 (3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 956.4980802 -3.6502 4.65 3.936 19 11 312.05 10 8 67 2
NPC74418 C66H106O33 (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 1426.661636 -8.5529 5.09 0.823 33 19 529.27 18 11 99 3
NPC7645 C48H76O20 (1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-3a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid 972.4929948 -4.1968 4.54 1.995 20 12 332.28 11 8 68 3
NPC90096 C48H78O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 958.5137303 -4.7278 4.65 3.333 19 12 315.21 10 8 67 2
NPC9498 C48H76O19 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 956.4980802 -4.4715 4.65 3.44 19 11 312.05 10 8 67 2

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