10 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.



4 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96693
Formula: C30H48O9S

Ingredient ID: NPC61615
Formula: C27H26O18

Ingredient ID: NPC61
Formula: C18H16O8

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC239952
Formula: C36H58O14S

Ingredient ID: NPC235625
Formula: C18H27NO6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC22098
Formula: C10H18O

Ingredient ID: NPC165651
Formula: C10H20O

Ingredient ID: NPC142415
Formula: C30H48O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC165651 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC22098 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC235625 C18H27NO6 353.1838376 -0.4792 2.67 0.574 7 2 96.3 5 3 25 0
NPC239952 C36H58O14S [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 746.3547275 -2.2219 3.77 2.66 14 8 249.12 7 6 51 2
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC61 C18H16O8 Rosmarinic Acid 360.08 -1.9057 2.56 2.083 4 5 144.52 12 2 26 0
NPC61615 C27H26O18 638.111914 -5.9027 2.45 -1.217 9 12 313.82 10 4 45 1
NPC96693 C30H48O9S (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-(sulfooxymethyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 584.3019041 -0.3175 3.66 3.966 9 5 169.97 4 5 40 0

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