ISOMOLLUPENTIN 7-O-GLUCOSIDE-2’'-GLUCOSIDE

Structure

2D structure of ISOMOLLUPENTIN 7-O-GLUCOSIDE-2’'-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ISOMOLLUPENTIN 7-O-GLUCOSIDE-2’'-GLUCOSIDE

IUPAC name

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

SMILES

C1[C@@H]([C@@H](C([C@@H](O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O)O

General information

Molecular formula

C32H38O19

Molecular weight

726.64 g/mol

Monoisotopic mass

726.2007 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cerastium arvense L. subsp. suffruticosum (L.) Ces. flower -
Dubois, M.A., Zoll, A., Chopin, J. (1985). Isomollupentin-o-glucosides from Cerastium arvense. Phytochemistry, 24(5), 1077-1080 doi:10.1016/s0031-9422(00)83186-6