SINAPINE-O-BETA-D-GLUCOPYRANOSIDE

Structure

2D structure of SINAPINE-O-BETA-D-GLUCOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

SINAPINE-O-BETA-D-GLUCOPYRANOSIDE

IUPAC name

2-(((E)-3-(3,5-dimethoxy-4-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)-N,N,N-trimethylethan-1-aminium

SMILES

C1(=CC(=CC(=C1O[C@@H]2[C@H]([C@@H]([C@H]([C@H](CO)O2)O)O)O)OC)\C(=C(\C(OCC[N+](C)(C)C)=O)[H])[H])OC

General information

Molecular formula

C22H34NO10+

Molecular weight

472.51 g/mol

Monoisotopic mass

472.2177 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Alliaria petiolata (M.Bieb.) Cavara & Grande seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.