KAEMPFEROL-3-O-BETA-D-[4''-O-ACETYL-6''-O-(PARA-COUMAROYL)]-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-BETA-D-[4''-O-ACETYL-6''-O-(PARA-COUMAROYL)]-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162933977

Names and identifiers

Name

KAEMPFEROL-3-O-BETA-D-[4''-O-ACETYL-6''-O-(PARA-COUMAROYL)]-GLUCOSIDE

IUPAC name

((2R,3S,4R,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl (E)-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)COC(C=CC5=CC=C(C=C5)O)=O)OC(C)=O)O)O)O

General information

Molecular formula

C32H28O14

Molecular weight

636.56 g/mol

Monoisotopic mass

636.1479 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., Bignardi, G., Pizza, C. (1988). Minor acylated flavonoids from Quercus cerris L. Liebigs Ann Chem, (10), 989-991