APIGENIN-7-O-(6''-TRANS-CAFFEOYL)-BETA-D-GLUCOSIDE

Structure

2D structure of APIGENIN-7-O-(6''-TRANS-CAFFEOYL)-BETA-D-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21579296

Names and identifiers

Name

APIGENIN-7-O-(6''-TRANS-CAFFEOYL)-BETA-D-GLUCOSIDE

IUPAC name

((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate

SMILES

C1=CC(=CC=C1C3=CC(=O)C2=C(C=C(C=C2O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(\C(=C(\C5=CC=C(C(=C5)O)O)[H])[H])=O)O)O)O)O)O

General information

Molecular formula

C30H26O13

Molecular weight

594.53 g/mol

Monoisotopic mass

594.1373 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bellis perennis L. flower -
Gudej, J., Nazaruk, J. (1997). Apigenin glycosidoesters from flowers of Bellis perennis L. Acta Pol Pharm, 54(3), 233-235