ISORHAMNETIN-3-RHAMNOSYLGALACTOSIDE

Structure

2D structure of ISORHAMNETIN-3-RHAMNOSYLGALACTOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ISORHAMNETIN-3-RHAMNOSYLGALACTOSIDE

IUPAC name

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

SMILES

COC1=C(C=CC(=C1)C3=C(C(=O)C2=C(C=C(C=C2O3)O)O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](C)O5)O)O)O)O

General information

Molecular formula

C28H32O16

Molecular weight

624.55 g/mol

Monoisotopic mass

624.1690 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Pyrus communis L. subsp. pyraster (L.) Ehrh. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.