35 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99011
Formula: C16H20O10

Ingredient ID: NPC9874
Formula: C14H18O9

Ingredient ID: NPC87465
Formula: C17H20O9

Ingredient ID: NPC81559
Formula: C19H18O11

Ingredient ID: NPC67037
Formula: C20H18O11

Ingredient ID: NPC37250
Formula: C16H18O9

Ingredient ID: NPC308905
Formula: C17H20O9

Ingredient ID: NPC307052
Formula: C18H22O9

Ingredient ID: NPC298124
Formula: C19H30O7

Ingredient ID: NPC282468
Formula: C23H22O13

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC274891
Formula: C17H20O9

Ingredient ID: NPC272721
Formula: C13H8O5

Ingredient ID: NPC264544
Formula: C25H34O5

Ingredient ID: NPC262826
Formula: C14H20O6

Ingredient ID: NPC251102
Formula: C15H18O8

Ingredient ID: NPC245673
Formula: C18H14O5

Ingredient ID: NPC243924
Formula: C16H18O9

Ingredient ID: NPC233576
Formula: C11H10O4

Ingredient ID: NPC212064
Formula: C20H26O9

Ingredient ID: NPC210298
Formula: C15H18O8

Ingredient ID: NPC208385
Formula: C16H28O6

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC172194
Formula: C31H46O5

Ingredient ID: NPC157378
Formula: C17H20O9

Ingredient ID: NPC144449
Formula: C13H16O7

Ingredient ID: NPC134819
Formula: C18H22O9

Ingredient ID: NPC133757
Formula: C31H46O5

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC119472
Formula: C10H8O4

Ingredient ID: NPC118441
Formula: C20H26O9

Ingredient ID: NPC114622
Formula: C17H22O10

Ingredient ID: NPC112607
Formula: C25H34O5

Ingredient ID: NPC111455
Formula: C19H24O9

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111455 C19H24O9 396.1420323 -3.7632 2.56 -0.543 6 6 156.91 4 3 28 1
NPC112607 C25H34O5 414.2406242 2.1162 3.66 2.87 5 0 85.35 5 3 30 0
NPC114622 C17H22O10 (2S,3S)-3-ethyl-5,7-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 386.1212969 -3.7949 2.23 -1.233 7 6 166.14 4 3 27 1
NPC118441 C20H26O9 410.1576824 -2.5606 2.67 1.224 7 5 153.75 9 2 29 0
NPC119472 C10H8O4 5,7-dihydroxy-3-methylchromen-4-one 192.0422587 -0.9453 2.12 0.362 1 2 66.76 0 2 14 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC133757 C31H46O5 498.3345246 5.0451 4.32 5.663 5 1 80.67 10 2 36 1
NPC134819 C18H22O9 382.1263823 -2.5982 2.45 -0.145 6 5 145.91 11 3 27 0
NPC144449 C13H16O7 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate 284.0896029 -2.1442 2.12 1.36 7 4 116.45 4 2 20 0
NPC157378 C17H20O9 368.1107322 -1.9452 2.34 -0.126 7 5 153.75 6 2 26 0
NPC172194 C31H46O5 498.3345246 5.0451 4.32 5.663 5 1 80.67 10 2 36 1
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC208385 C16H28O6 (2S,3R,4S,5S,6R)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 316.1885886 0.7223 2.56 1.36 6 4 99.38 7 1 22 0
NPC210298 C15H18O8 (Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 326.1001675 -2.0859 2.23 0.778 7 5 136.68 5 2 23 0
NPC212064 C20H26O9 butyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate 410.1576824 -2.5606 2.67 1.224 7 5 153.75 9 2 29 0
NPC233576 C11H10O4 3-ethyl-5,7-dihydroxychromen-4-one 206.0579088 -1.2804 2.23 0.826 1 2 66.76 1 2 15 0
NPC243924 C16H18O9 5-hydroxy-3-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 354.0950822 -2.6922 2.23 -0.746 6 5 145.91 3 3 25 0
NPC245673 C18H14O5 5,9-dihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one 310.0841235 -0.4307 2.89 2.014 1 2 75.99 0 4 23 0
NPC251102 C15H18O8 (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 326.1001675 -2.0859 2.23 0.778 7 5 136.68 5 2 23 0
NPC262826 C14H20O6 284.1259884 -1.94 2.34 2.081 6 4 99.38 9 2 20 0
NPC264544 C25H34O5 414.2406242 2.1162 3.66 2.87 5 0 85.35 5 3 30 0
NPC272721 C13H8O5 1,3,5-Trihydroxyxanthen-9-One 244.04 -1.7988 2.34 0.614 1 3 86.99 3 3 18 0
NPC274891 C17H20O9 5-O-Cis-Caffeoylquinic Acid Methyl Ester 368.11 -1.9452 2.34 -0.126 7 5 153.75 12 2 26 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC282468 C23H22O13 [(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate 506.1060408 -4.513 2.56 -0.043 8 7 212.67 6 4 36 1
NPC298124 C19H30O7 370.1991533 -0.2473 2.78 1.071 7 4 116.45 5 2 26 0
NPC307052 C18H22O9 382.1263823 -3.087 2.45 -1.112 6 6 156.91 11 3 27 1
NPC308905 C17H20O9 368.1107322 -1.9452 2.34 -0.126 7 5 153.75 6 2 26 0
NPC37250 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC67037 C20H18O11 Avicularin 434.08 -4.3814 2.45 -0.111 6 7 186.37 11 4 31 1
NPC81559 C19H18O11 1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one 422.0849114 -4.4948 2.34 -1.995 6 8 197.37 2 4 30 1
NPC87465 C17H20O9 3-ethyl-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 368.1107322 -3.0273 2.34 -0.282 6 5 145.91 4 3 26 0
NPC9874 C14H18O9 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid 330.0950822 -2.4988 2.01 -0.482 7 5 145.91 5 2 23 0
NPC99011 C16H20O10 (2S,3S)-5,7-dihydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 372.1056468 -3.1187 2.12 -1.802 7 6 166.14 3 3 26 1

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