Summary

IMPPAT Phytochemical identifier: IMPHY000498

Phytochemical name: 1'-O-Galloylsucrose

Synonymous chemical names:
1'-o-galloyl-sucrose, 1'-o-galloylsucrose

External chemical identifiers:
CID:14055559

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Chemical structure information

SMILES:
OCC1OC(C(C1O)O)(COC(=O)c1cc(O)c(c(c1)O)O)OC1OC(CO)C(C(C1O)O)O

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

InChIKey:
XPQHIVBLCNQLEF-UHFFFAOYSA-N

DeepSMILES:
OCCOCCC5O))O))COC=O)cccO)ccc6)O))O))))))))OCOCCO))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(OCC1(OC2CCCCO2)CCCO1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1(OC2CCCCO2)CCCO1)C1CCCCC1

Scaffold Graph level:
CC(CCC1(CC2CCCCC2)CCCC1)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-Likeness score: 1.697

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Chemical structure download