KAEMPFEROL-3-O-BETA-D-(2''-4''-DI-PARA-COUMARYL)-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-D-(2''-4''-DI-PARA-COUMARYL)-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 163030845

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-D-(2''-4''-DI-PARA-COUMARYL)-GLUCOSIDE

IUPAC name

(2S,3R,4S,5S,6R)-2-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diyl (2E,2'E)-bis(3-(4-hydroxyphenyl)acrylate)

SMILES

C1=CC(=CC=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(C=CC5=CC=C(C=C5)O)=O)O)OC(C=CC6=CC=C(C=C6)O)=O)O

General information

Molecular formula

C39H32O15

Molecular weight

740.67 g/mol

Monoisotopic mass

740.1741 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Quercus cerris L. leaf -
Romussi, G., Ciarallo, G., Parodi, B. (1988). A glycoside from Quercus cerris L. Pharmazie, 43(4), 294-295