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

Structure

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

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

Names and identifiers

Name

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

IUPAC name

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

SMILES

C2(C=C(C1=CC=C(C=C1)O)OC3=C2C(=C(C(=C3)O[C@@H]5[C@H]([C@@H]([C@H]([C@H](COC(\C(=C(\C4=CC(=C(C=C4)O)O)[H])[H])=O)O5)O)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)O)=O

General information

Molecular formula

C36H36O18

Molecular weight

756.67 g/mol

Monoisotopic mass

756.1902 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. aerial parts -
Krauze-baranowska, M., Cisowski, W. (1995). Flavone c-glycosides from Bryonia alba and B. dioica. Phytochemistry, 39(3), 727-729 doi:10.1016/0031-9422(95)00069-j