Summary

IMPPAT Phytochemical identifier: IMPHY013450

Phytochemical name: Rhamnetin 3-galactosyl-(1->4)-galactoside

Synonymous chemical names:
rhamnetin 3-galactosyl (1->4) galactoside

External chemical identifiers:
CID:44259578

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)OC)c2ccc(c(c2)O)O)C(C([C@H]1O[C@@H]1OC(CO)[C@H](C([C@H]1O)O)O)O)O

InChI:
InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(19(17)35)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15?,16?,18-,20?,21?,22-,23?,25+,27+,28+/m1/s1

InChIKey:
LSPBTBSEMHJXDA-OXXUSNHYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCC(OC3CCCCO3)CO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCC(OC2CCCCO2)CO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCC(CC2CCCCC2)CC1

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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: 1.837

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Chemical structure download