25 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: NPC93211
Formula: C34H44O19

Ingredient ID: NPC88811
Formula: C29H36O15

Ingredient ID: NPC88085
Formula: C16H24O10

Ingredient ID: NPC71553
Formula: C2H6

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC4612
Formula: C16H22O11

Ingredient ID: NPC39265
Formula: C17H24O11

Ingredient ID: NPC301161
Formula: C35H46O19

Ingredient ID: NPC299706
Formula: C26H32O11

Ingredient ID: NPC28984
Formula: C29H36O15

Ingredient ID: NPC245019
Formula: C26H32O11

Ingredient ID: NPC242821
Formula: C29H46O3

Ingredient ID: NPC236971
Formula: C16H22O11

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC229882
Formula: C27H34O11

Ingredient ID: NPC224284
Formula: C29H36O16

Ingredient ID: NPC197316
Formula: C29H36O15

Ingredient ID: NPC184214
Formula: C34H44O19

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC176814
Formula: C21H24O6

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC175557
Formula: C18H26O11

Ingredient ID: NPC159003
Formula: C23H34O16

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC128283
Formula: C22H32O16

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC128283 C22H32O16 (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid 552.1690349 -4.8358 2.12 -2.723 16 9 262.36 8 4 38 2
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC159003 C23H34O16 7-O-methyl 4-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate 566.184685 -4.5848 2.23 -2.402 16 8 251.36 9 4 39 2
NPC175557 C18H26O11 dimethyl (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate 418.1475117 -2.4294 2.23 -0.775 11 4 161.21 7 3 29 1
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC176814 C21H24O6 Arctigenin 372.16 -0.5036 3.11 2.934 2 1 74.22 11 3 27 0
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC184214 C34H44O19 756.2476792 -5.534 3.11 -1.067 15 11 304.21 13 5 53 3
NPC197316 C29H36O15 Acetoside 624.21 -4.2978 3 -0.202 11 9 245.29 21 4 44 3
NPC224284 C29H36O16 640.2003351 -5.0641 2.89 -1.232 12 10 265.52 11 4 45 3
NPC229882 C27H34O11 Arctiin 534.21 -2.2505 3.22 1.826 7 4 153.37 17 4 38 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC236971 C16H22O11 390.1162115 -2.9314 2.01 -1.417 11 6 183.21 5 3 27 2
NPC242821 C29H46O3 442.3446953 2.4612 4.32 8.483 3 2 57.53 1 5 32 1
NPC245019 C26H32O11 520.1944618 -2.659 3.11 1.307 7 5 164.37 9 4 37 0
NPC28984 C29H36O15 624.2054205 -4.2978 3 -0.202 11 9 245.29 11 4 44 3
NPC299706 C26H32O11 520.1944618 -2.659 3.11 1.307 11 5 164.37 16 4 37 0
NPC301161 C35H46O19 [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 770.2633293 -5.298 3.22 -1.449 15 10 293.21 15 5 54 3
NPC39265 C17H24O11 (1S,4aS,7S,7aS)-7-methoxycarbonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid 404.1318616 -2.6804 2.12 -1.096 11 5 172.21 6 3 28 1
NPC4612 C16H22O11 (1S,4aS,7S,7aS)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylic acid 390.1162115 -2.9314 2.01 -1.417 11 6 183.21 5 3 27 2
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC71553 C2H6 30.04695019 0.6822 1.68 1.478 0 0 0 1 0 2 0
NPC88085 C16H24O10 (1S,4aS,7S,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid 376.136947 -3.3017 2.12 -1.304 10 6 166.14 5 3 26 1
NPC88811 C29H36O15 624.2054205 -4.2978 3 -0.202 11 9 245.29 11 4 44 3
NPC93211 C34H44O19 [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 756.2476792 -5.534 3.11 -1.067 15 11 304.21 13 5 53 3

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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