23 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: NPC91556
Formula: C43H52N2O18

Ingredient ID: NPC74764
Formula: C44H58N2O18

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC49124
Formula: C30H44O6

Ingredient ID: NPC41121
Formula: C21H20O10

Ingredient ID: NPC302634
Formula: C45H54N2O20

Ingredient ID: NPC298851
Formula: C21H24N2O4

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC242631
Formula: C30H46O5

Ingredient ID: NPC22563
Formula: C27H30O16

Ingredient ID: NPC219863
Formula: C31H50O3

Ingredient ID: NPC210867
Formula: C41H64O14

Ingredient ID: NPC208699
Formula: C16H18O9

Ingredient ID: NPC181138
Formula: C21H24N2O4

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC170707
Formula: C41H66O12

Ingredient ID: NPC14185
Formula: C29H46O3

Ingredient ID: NPC127546
Formula: C21H20O11

Ingredient ID: NPC120781
Formula: C44H58N2O18

Ingredient ID: NPC105095
Formula: C28H34O15

Ingredient ID: NPC102949
Formula: C29H46O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC102949 C29H46O3 442.3446953 2.1535 4.32 8.148 3 1 46.53 0 6 32 1
NPC105095 C28H34O15 610.1897704 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC120781 C44H58N2O18 902.368463 -4.4104 4.1 1.345 20 9 288.85 17 7 64 3
NPC127546 C21H20O11 Quercetin-3-O-Rhamnoside 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC14185 C29H46O3 (4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid 442.3446953 1.9176 4.32 7.895 3 2 57.53 1 5 32 1
NPC170707 C41H66O12 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6bR,8aR,10S,12aR,14bS)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate 750.4554276 -1.2337 4.65 6.184 12 7 195.6 6 7 53 3
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC181138 C21H24N2O4 368.1736072 -0.6854 3.11 2.653 6 1 71.36 5 5 27 0
NPC208699 C16H18O9 (1S,3R,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC210867 C41H64O14 [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-14-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 780.4296067 -2.9267 4.43 3.621 14 8 232.9 7 7 55 2
NPC219863 C31H50O3 ethyl (4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate 470.3759955 2.419 4.54 8.639 3 1 46.53 3 5 34 1
NPC22563 C27H30O16 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC242631 C30H46O5 (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid 486.3345246 0.602 4.21 7.277 5 3 94.83 2 5 35 1
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC298851 C21H24N2O4 368.1736072 -0.6854 3.11 2.653 6 1 71.36 5 5 27 0
NPC302634 C45H54N2O20 942.3269921 -4.479 3.99 1.522 22 10 335.8 18 7 67 3
NPC41121 C21H20O10 Kaempferol-3-O-Rhamnoside 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC49124 C30H44O6 (1S,2R,4S,4aS,6aR,6aR,6bR,8aR,12aR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid 500.3137891 0.5986 4.1 5.647 6 3 111.9 2 5 36 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC74764 C44H58N2O18 902.368463 -4.4104 4.1 1.345 20 9 288.85 17 7 64 3
NPC91556 C43H52N2O18 884.3215128 -4.4902 3.99 1.576 20 10 309.5 16 7 63 3

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