Summary

IMPPAT Phytochemical identifier: IMPHY013448

Phytochemical name: Rhamnocitrin 3-glucoside

Synonymous chemical names:
rhamnocitrin-3-glucoside

External chemical identifiers:
CID:44259544

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)OC)c2ccc(cc2)O)C(C([C@@H]1O)O)O

InChI:
InChI=1S/C22H22O11/c1-30-11-6-12(25)15-13(7-11)31-20(9-2-4-10(24)5-3-9)21(17(15)27)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18?,19?,22-/m1/s1

InChIKey:
ULVBHEFDGPIWAT-RQMGYXQJSA-N

DeepSMILES:
OC[C@H]O[C@H]Occoccc6=O))cO)ccc6)OC))))))))cccccc6))O))))))))CC[C@@H]6O))O))O

Functional groups:
CO, c=O, cO, cOC, cO[C@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.912

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Chemical structure download