KAEMPFEROL-3-O-RUTINOSIDE-7-O-RHAMNOSIDE

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44258840

Names and identifiers

Name

KAEMPFEROL-3-O-RUTINOSIDE-7-O-RHAMNOSIDE

IUPAC name

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

SMILES

CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5C([C@H]([C@H](C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O

General information

Molecular formula

C33H40O19

Molecular weight

740.66 g/mol

Monoisotopic mass

740.2164 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