KAEMPFEROL-3-O-(6''-ACETYL-GLUCOSIDE)-7-O-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-(6''-ACETYL-GLUCOSIDE)-7-O-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21676292

Names and identifiers

Name

KAEMPFEROL-3-O-(6''-ACETYL-GLUCOSIDE)-7-O-GLUCOSIDE

IUPAC name

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

SMILES

C1=CC(=CC=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(C)=O)O)O)O)O

General information

Molecular formula

C29H32O17

Molecular weight

652.56 g/mol

Monoisotopic mass

652.1640 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Equisetum telmateia Ehrh. seedling -
Beckert, C., Veit, M., Geiger, H., Czygan, F.C. (1993). Flavonoids of Equisetum sylvaticum, Equisetum pratense, and Equisetum x bowmanii. Planta Med Suppl, 59, A696-A697 doi:10.1055/s-2006-959988