GENTISIC-ALCOHOL-2-BETA-D-(6-BENZOYL)-GLUCOPYRANOSIDE

Structure

2D structure of GENTISIC-ALCOHOL-2-BETA-D-(6-BENZOYL)-GLUCOPYRANOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

GENTISIC-ALCOHOL-2-BETA-D-(6-BENZOYL)-GLUCOPYRANOSIDE

IUPAC name

2-(((2R,3S,4R,5R,6S)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-hydroxybenzoic acid

SMILES

C1=CC(=C(C=C1O)C(=O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](COC(C2=CC=CC=C2)=O)O3)O)O)O

General information

Molecular formula

C20H20O10

Molecular weight

420.37 g/mol

Monoisotopic mass

420.1056 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Populus nigra L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.