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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC71372
Formula: C30H26O4

Ingredient ID: NPC67657
Formula: C27H48O6

Ingredient ID: NPC5716
Formula: C32H56O12S

Ingredient ID: NPC474107
Formula: C30H24O4

Ingredient ID: NPC474106
Formula: C30H26O5

Ingredient ID: NPC36835
Formula: C15H12O7

Ingredient ID: NPC310982
Formula: C27H48O8S

Ingredient ID: NPC307050
Formula: C20H24O6

Ingredient ID: NPC303065
Formula: C27H48O9S

Ingredient ID: NPC290939
Formula: C29H50O6

Ingredient ID: NPC289883
Formula: C15H10O2

Ingredient ID: NPC288632
Formula: C50H82O24S

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC265515
Formula: C34H30O6

Ingredient ID: NPC255244
Formula: C27H48O5

Ingredient ID: NPC212559
Formula: C16H16O2

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC196957
Formula: C27H48O5

Ingredient ID: NPC189142
Formula: C21H20O11

Ingredient ID: NPC181297
Formula: C27H44O6

Ingredient ID: NPC179262
Formula: C27H48O5

Ingredient ID: NPC128909
Formula: C30H51NO8S

Ingredient ID: NPC127042
Formula: C27H44O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC127042 C27H44O6 464.3137891 -0.7531 3.77 4.523 6 5 118.22 5 4 33 0
NPC128909 C30H51NO8S 584.3257136 -1.7552 3.66 3.912 9 5 179.09 8 4 40 0
NPC179262 C27H48O5 (3S,5S,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol 452.3501746 -1.5686 3.88 5.036 5 5 101.15 6 4 32 1
NPC181297 C27H44O6 (E,3S,6R)-3-methyl-6-[(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-3,5,6,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-4-enoic acid 464.3137891 -0.7531 3.77 4.523 6 5 118.22 5 4 33 0
NPC189142 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
NPC196957 C27H48O5 (3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15-tetrol 452.3501746 -1.2414 3.88 4.945 5 5 101.15 6 4 32 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC212559 C16H16O2 240.1150298 0.856 3 4.243 0 0 18.46 4 3 18 0
NPC255244 C27H48O5 452.3501746 -1.2414 3.88 4.945 5 5 101.15 6 4 32 0
NPC265515 C34H30O6 534.2042387 1.6532 4.54 8.096 2 0 71.06 11 6 40 1
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC288632 C50H82O24S 1097.483849 -5.6263 4.21 -1.404 24 11 388.25 16 8 75 3
NPC289883 C15H10O2 Tectoquinone 222.07 0.1144 2.89 4.397 2 0 34.14 1 3 17 0
NPC290939 C29H50O6 (3R,6R)-3-propan-2-yl-6-[(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-3,5,6,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid 494.3607393 -0.5763 3.99 6.124 6 5 118.22 7 4 35 1
NPC303065 C27H48O9S 547.2940791 -2.7343 3.33 2.836 9 5 175.96 8 4 37 0
NPC307050 C20H24O6 Isolariciresinol 360.16 -2.2141 3 1.061 2 4 99.38 11 3 26 0
NPC310982 C27H48O8S [(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-3,5,6-trihydroxy-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-15-yl] sulfate 531.2991645 -1.968 3.44 3.648 8 4 155.73 8 4 36 0
NPC36835 C15H12O7 Taxifolin 304.06 -2.9269 2.34 0.028 2 5 127.45 6 3 22 0
NPC474106 C30H26O5 466.18 -0.0286 4.21 4.152 5 2 91.67 7 6 35 0
NPC474107 C30H24O4 448.17 1.8085 4.32 6.41 2 0 52.6 5 6 34 1
NPC5716 C32H56O12S [(3S,5R,6R,8R,9S,10R,13R,14S,15S,17R)-3,5,6-trihydroxy-10,13-dimethyl-17-[(2R,6S)-6-methyl-7-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-15-yl] sulfate 663.3414232 -3.2042 3.55 2.783 12 6 214.65 10 5 45 2
NPC67657 C27H48O6 468.3450893 -2.0077 3.77 4.133 6 6 121.38 16 4 33 1
NPC71372 C30H26O4 450.1831093 0.895 4.32 6.616 0 2 58.92 7 6 34 1

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