38 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95198
Formula: C27H32O13

Ingredient ID: NPC92329
Formula: C33H48O7

Ingredient ID: NPC82725
Formula: C43H66O5

Ingredient ID: NPC8080
Formula: C24H22N4O6S2

Ingredient ID: NPC7817
Formula: C75H124N14O16

Ingredient ID: NPC71210
Formula: C16H14O6

Ingredient ID: NPC70622
Formula: C15H10O5

Ingredient ID: NPC64804
Formula: C21H20O13S

Ingredient ID: NPC6207
Formula: C32H26O8

Ingredient ID: NPC60171
Formula: C34H46O6

Ingredient ID: NPC58427
Formula: C14H12O4

Ingredient ID: NPC5029
Formula: C21H20O10

Ingredient ID: NPC46958
Formula: C28H32O15

Ingredient ID: NPC45777
Formula: C45H65N7O11

Ingredient ID: NPC38283
Formula: C25H24N4O6S2

Ingredient ID: NPC3224
Formula: C15H12O4

Ingredient ID: NPC312929
Formula: C16H12O5

Ingredient ID: NPC311264
Formula: C13H14N2O3S3

Ingredient ID: NPC310447
Formula: C21H20O10

Ingredient ID: NPC310198
Formula: C37H54O5

Ingredient ID: NPC310128
Formula: C15H12O6

Ingredient ID: NPC285122
Formula: C21H22O9

Ingredient ID: NPC280318
Formula: C75H124N14O16

Ingredient ID: NPC278329
Formula: C21H20O9

Ingredient ID: NPC265104
Formula: C27H32O14

Ingredient ID: NPC254848
Formula: C15H10O5

Ingredient ID: NPC253124
Formula: C14H12O6

Ingredient ID: NPC243062
Formula: C16H10O6

Ingredient ID: NPC238254
Formula: C16H16O5

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC21353
Formula: C27H32O14

Ingredient ID: NPC210292
Formula: C46H65N7O10

Ingredient ID: NPC205400
Formula: C75H124N14O17

Ingredient ID: NPC16676
Formula: C27H32O13

Ingredient ID: NPC157410
Formula: C15H14O6

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC111897
Formula: C12H22O11

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111897 C12H22O11 (2R,3S,4R,5S,6R)-2-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 342.1162115 -4.3105 1.57 -3.277 11 8 189.53 5 2 23 2
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC157410 C15H14O6 (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 290.0790382 -2.494 2.45 0.406 1 5 110.38 1 3 21 0
NPC16676 C27H32O13 (10R)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one 564.1842911 -4.6559 3 -0.242 11 9 226.83 5 5 40 2
NPC205400 C75H124N14O17 (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-2-[(5-hydroxy-5-methylhexanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide 1492.926889 -2.6105 6.3 7.682 31 15 504.17 34 3 106 4
NPC210292 C46H65N7O10 875.4792913 -2.7381 4.65 8.035 16 8 273.87 13 4 63 4
NPC21353 C27H32O14 (10R)-1,10-dihydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-9-one 580.1792057 -5.2702 2.89 -1.574 12 10 247.06 5 5 41 2
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC238254 C16H16O5 (2S,3S)-2-(3,4-dihydroxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-5,7-diol 288.0997736 -1.5911 2.67 1.733 0 4 90.15 1 3 21 0
NPC243062 C16H10O6 4,5-dihydroxy-7-methyl-9,10-dioxoanthracene-2-carboxylic acid 298.047738 -1.046 2.56 0.864 4 3 111.9 1 3 22 0
NPC253124 C14H12O6 3-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-5-hydroxy-3,4-dihydropyran-2-one 276.0633881 -1.613 2.34 0.259 4 3 104.06 3 2 20 0
NPC254848 C15H10O5 3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate 269.0449984 -1.6003 2.56 0.664 2 2 97.66 0 3 20 0
NPC265104 C27H32O14 (10S)-1,10-dihydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-9-one 580.1792057 -5.2702 2.89 -1.574 12 10 247.06 5 5 41 2
NPC278329 C21H20O9 416.1107322 -2.5531 2.78 0.519 7 5 153.75 9 4 30 0
NPC280318 C75H124N14O16 (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide 1476.931974 -2.5596 6.41 9.436 30 14 483.94 34 3 105 4
NPC285122 C21H22O9 418.1263823 -3.5233 2.78 -0.466 7 7 167.91 10 4 30 1
NPC310128 C15H12O6 288.0633881 -2.1767 2.45 0.707 2 4 107.22 6 3 21 0
NPC310198 C37H54O5 3-docosoxy-1,8-dihydroxy-6-methylanthracene-9,10-dione 578.3971248 -6.6574 4.98 12.775 2 2 83.83 22 3 42 2
NPC310447 C21H20O10 1,6-dihydroxy-3-methyl-8-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione 432.1056468 -3.0134 2.67 -0.444 7 6 173.98 3 4 31 1
NPC311264 C13H14N2O3S3 (4S,5S)-4-(4-hydroxy-3-methoxyphenyl)-4-(1H-imidazol-2-yl)trithian-5-ol 342.0166553 0.0553 2.01 1.313 3 3 154.27 3 3 21 0
NPC312929 C16H12O5 Physcion 284.07 -0.858 2.67 1.183 2 2 83.83 5 3 21 0
NPC3224 C15H12O4 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione 256.07 -0.4584 2.67 0.487 3 2 74.6 3 3 19 0
NPC38283 C25H24N4O6S2 540.1137265 -1.0342 2.89 3.92 6 5 203.65 7 5 37 0
NPC45777 C45H65N7O11 879.4742059 -0.1531 4.43 8.214 18 9 294.89 31 3 63 4
NPC46958 C28H32O15 Physcion-8-O-Gentiobioside 608.17 -4.3518 2.89 -1.462 12 8 242.13 17 5 43 2
NPC5029 C21H20O10 432.1056468 -3.0134 2.67 -0.444 10 6 173.98 10 4 31 1
NPC58427 C14H12O4 4-[(Z)-2-(3,5-Dihydroxyphenyl)Ethenyl]Benzene-1,2-Diol 244.07 -1.3734 2.56 2.691 0 4 80.92 6 2 18 0
NPC60171 C34H46O6 (4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl) (E)-octadec-9-enoate 550.3294392 -2.8386 4.54 9.872 3 2 93.06 18 3 40 2
NPC6207 C32H26O8 10-(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one 538.1627678 -1.1914 4.1 4.162 2 4 133.52 3 6 40 0
NPC64804 C21H20O13S [5-hydroxy-7-methyl-9,10-dioxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-2-yl] hydrogen sulfate 512.0624617 -3.0622 2.23 -1.741 10 6 225.73 5 4 35 1
NPC70622 C15H10O5 Aloe-Emodin 270.05 -1.8969 2.56 0.284 3 3 94.83 4 3 20 0
NPC71210 C16H14O6 302.0790382 -1.7682 2.56 1.226 2 3 96.22 7 3 22 0
NPC7817 C75H124N14O16 1476.931974 -2.1714 6.41 9.436 30 14 483.94 67 3 105 4
NPC8080 C24H22N4O6S2 526.0980764 -1.2852 2.78 3.599 6 6 214.65 6 5 36 1
NPC82725 C43H66O5 (4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl) octacosanoate 662.4910252 -7.7978 5.64 16.522 3 2 83.83 28 3 48 2
NPC92329 C33H48O7 1,3,8,10-tetrahydroxy-6-(hydroxymethyl)-10-octadecoxyanthracen-9-one 556.3400039 -7.2329 4.32 8.255 4 5 127.45 19 3 40 2
NPC95198 C27H32O13 (10S)-1-hydroxy-3-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one 564.1842911 -4.6559 3 -0.242 11 9 226.83 5 5 40 2

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