15 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: NPC94269
Formula: C30H30O8

Ingredient ID: NPC86412
Formula: C6H14O6

Ingredient ID: NPC56698
Formula: C23H34O3

Ingredient ID: NPC34241
Formula: C27H30O15

Ingredient ID: NPC28187
Formula: C21H20O13

Ingredient ID: NPC2634
Formula: C21H28O2

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC217640
Formula: C34H42O19

Ingredient ID: NPC213001
Formula: C23H36O3

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC183865
Formula: C23H32O3

Ingredient ID: NPC181197
Formula: C23H32O4

Ingredient ID: NPC139539
Formula: C30H48O2

Ingredient ID: NPC12774
Formula: C31H50O3

Ingredient ID: NPC118897
Formula: C21H20O13

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC118897 C21H20O13 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 480.0903907 -5.0084 2.34 -0.69 7 9 226.83 4 4 34 1
NPC12774 C31H50O3 Methyl Betulinate 470.38 2.6005 4.54 9.728 3 1 46.53 11 5 34 1
NPC139539 C30H48O2 440.3654308 3.2076 4.54 9.094 2 0 34.14 0 5 32 1
NPC181197 C23H32O4 [(1S)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,16-dioxo-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate 372.2300595 0.3506 3.55 4.009 4 0 60.44 3 4 27 0
NPC183865 C23H32O3 [(8R,9S,10R,13S,14S,16S,17Z)-17-ethylidene-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate 356.2351449 1.6403 3.66 4.769 3 0 43.37 2 4 26 0
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC213001 C23H36O3 [(3R,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate 360.266445 -0.0192 3.66 6.522 3 0 43.37 3 4 26 1
NPC217640 C34H42O19 (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol 755.2398542 -7.1856 3.11 -1.404 16 13 309.14 8 6 53 2
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC2634 C21H28O2 Guggulsterone 312.21 1.2873 3.55 4.086 2 0 34.14 3 4 23 0
NPC28187 C21H20O13 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 480.0903907 -5.0084 2.34 -0.69 7 9 226.83 4 4 34 1
NPC34241 C27H30O15 (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol 596.1741203 -5.2953 2.78 -1.629 10 11 239.22 6 5 42 1
NPC56698 C23H34O3 358.2507949 1.0739 3.66 6.098 3 0 43.37 2 4 26 1
NPC86412 C6H14O6 Mannitol 182.08 -2.9402 1.46 -3.896 6 6 121.38 11 0 12 1
NPC94269 C30H30O8 7-(5-formyl-3,6,7-trihydroxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde 518.1940679 -0.7168 3.88 5.299 2 6 155.52 5 4 38 2

Download Data

All data can be downloaded by:

   → Selecting data type in the below download table
   → Then click the download button.
Data Section
Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties