Summary

IMPPAT Phytochemical identifier: IMPHY013451

Phytochemical name: Rhamnetin 3-galactosyl-(1->6)-galactoside

Synonymous chemical names:
rhamnetin 3-galactosyl(1->6) galactoside

External chemical identifiers:
CID:44259579

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Chemical structure information

SMILES:
OCC1O[C@@H](OCC2O[C@@H](Oc3c(oc4c(c3=O)c(O)cc(c4)OC)c3ccc(c(c3)O)O)C(C([C@H]2O)O)O)C([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C28H32O17/c1-40-10-5-13(32)17-14(6-10)42-25(9-2-3-11(30)12(31)4-9)26(20(17)35)45-28-24(39)22(37)19(34)16(44-28)8-41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15?,16?,18-,19-,21-,22?,23?,24?,27+,28-/m0/s1

InChIKey:
VVNAVFMRGMPHSJ-ZBGOPSEXSA-N

DeepSMILES:
OCCO[C@@H]OCCO[C@@H]Occoccc6=O))cO)ccc6)OC))))))))cccccc6)O))O))))))))CC[C@H]6O))O))O)))))))C[C@H][C@H]6O))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(OC2CCCC(COC3CCCCO3)O2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCC(COC2CCCCO2)O1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCC(CCC2CCCCC2)C1

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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: 1.726

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Chemical structure download