KAEMPFEROL-3-O-RUTINOSIDE-7-O-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-RUTINOSIDE-7-O-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10190763

Names and identifiers

Name

KAEMPFEROL-3-O-RUTINOSIDE-7-O-GLUCOSIDE

IUPAC name

2-(3,4-dihydroxyphenyl)-5-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O

General information

Molecular formula

C33H40O21

Molecular weight

772.66 g/mol

Monoisotopic mass

772.2062 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Equisetum arvense L. aerial parts -
Jim Duke's personal files.
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