Summary

IMPPAT Phytochemical identifier: IMPHY013167

Phytochemical name: 6'-O-Galloylsucrose

Synonymous chemical names:
6'-o-galloylsucrose

External chemical identifiers:
CID:14055547

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Chemical structure information

SMILES:
OCC1OC(OC2(CO)OC(C(C2O)O)COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1O)O)O

InChI:
InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(5-21)16(29)13(26)10(33-19)4-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2

InChIKey:
WIFUDQQHRFOMBC-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCO))OCCC5O))O))COC=O)cccO)ccc6)O))O))))))))))))CCC6O))O))O

Functional groups:
CO, COC(C)OC(C)(C)OC, cC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC1CCC(OC2CCCCO2)O1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CCC(OC2CCCCO2)O1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC(CC2CCCCC2)C1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP-Likeness score: 1.792

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Chemical structure download