26 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC87125
Formula: C16H12O7

Ingredient ID: NPC79589
Formula: C21H28O12

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC66414
Formula: C17H16O5

Ingredient ID: NPC39793
Formula: C10H10O3

Ingredient ID: NPC311485
Formula: C15H12O5

Ingredient ID: NPC294852
Formula: C15H12O6

Ingredient ID: NPC286619
Formula: C27H28O11

Ingredient ID: NPC286006
Formula: C9H8O2

Ingredient ID: NPC280249
Formula: C20H20O6

Ingredient ID: NPC264640
Formula: C21H30O10

Ingredient ID: NPC253915
Formula: C19H18O5

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC228569
Formula: C32H52O2

Ingredient ID: NPC226712
Formula: C13H18O7

Ingredient ID: NPC220490
Formula: C29H30O11

Ingredient ID: NPC204932
Formula: C6H6O2

Ingredient ID: NPC185721
Formula: C27H26O10

Ingredient ID: NPC176869
Formula: C16H14O6

Ingredient ID: NPC169828
Formula: C29H30O11

Ingredient ID: NPC147150
Formula: C27H26O10

Ingredient ID: NPC147001
Formula: C21H28O12

Ingredient ID: NPC130235
Formula: C20H22O8

Ingredient ID: NPC113744
Formula: C27H28O11

Ingredient ID: NPC110532
Formula: C32H52O2

Ingredient ID: NPC110481
Formula: C28H34O11

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110481 C28H34O11 [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoxy]-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] benzoate 546.2101119 -2.6055 3.33 4.923 11 5 164.37 10 4 39 1
NPC110532 C32H52O2 468.3967309 4.2489 4.76 11.695 2 0 26.3 6 4 34 1
NPC113744 C27H28O11 528.1631617 -2.1683 3.22 3.252 10 4 169.05 10 4 38 0
NPC130235 C20H22O8 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate 390.1314677 -2.2867 2.78 2.973 7 4 125.68 7 3 28 0
NPC147001 C21H28O12 472.1580763 -3.4903 2.45 -0.254 11 7 195.6 7 3 33 2
NPC147150 C27H26O10 [2-[(2S,3R,4S,5S,6R)-3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxybenzoate 510.152597 -2.3778 3.33 6.057 8 4 151.98 10 4 37 1
NPC169828 C29H30O11 554.1788118 -1.8072 3.44 4.49 10 4 169.05 11 4 40 1
NPC176869 C16H14O6 302.0790382 -2.0581 2.56 1.081 2 3 96.22 6 3 22 0
NPC185721 C27H26O10 510.152597 -2.3778 3.33 6.057 8 4 151.98 10 4 37 1
NPC204932 C6H6O2 Catechol 110.04 -0.9206 1.9 1.299 0 2 40.46 2 1 8 0
NPC220490 C29H30O11 554.1788118 -1.8072 3.44 4.49 10 4 169.05 11 4 40 1
NPC226712 C13H18O7 Salicin 286.11 -2.6559 2.12 -0.084 6 5 119.61 9 2 20 0
NPC228569 C32H52O2 468.3967309 3.6104 4.76 12.641 2 0 26.3 3 5 34 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC253915 C19H18O5 326.1154237 -0.223 3 3.841 2 2 75.99 7 2 24 0
NPC264640 C21H30O10 (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 442.1838972 -2.9747 2.67 1.866 10 6 158.3 7 3 31 1
NPC280249 C20H20O6 356.1259884 -0.2748 3 3.186 2 2 85.22 8 2 26 0
NPC286006 C9H8O2 P-Hydroxycinnamaldehyde 148.05 -0.2916 2.23 1.967 1 1 37.3 3 1 11 0
NPC286619 C27H28O11 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[[(1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]oxan-3-yl] benzoate 528.1631617 -2.1683 3.22 3.252 10 4 169.05 10 4 38 0
NPC294852 C15H12O6 Eriodictyol 288.06 -2.2747 2.45 0.363 1 4 107.22 5 3 21 0
NPC311485 C15H12O5 (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 272.0684735 -1.8144 2.56 0.897 1 3 86.99 1 3 20 0
NPC39793 C10H10O3 Coniferyl Aldehyde 178.06 -0.3434 2.23 1.312 1 1 46.53 5 1 13 0
NPC66414 C17H16O5 [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] 4-hydroxybenzoate 300.0997736 -0.5841 2.78 3.025 2 2 75.99 6 2 22 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC79589 C21H28O12 472.1580763 -3.4903 2.45 -0.254 11 7 195.6 7 3 33 2
NPC87125 C16H12O7 Rhamnetin 316.06 -2.3927 2.45 1.9 2 4 116.45 7 3 23 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