ORIENTIN-2''-O-BETA-D-GLUCOSIDE

Structure

2D structure of ORIENTIN-2''-O-BETA-D-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

ORIENTIN-2''-O-BETA-D-GLUCOSIDE

IUPAC name

8-((2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)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](CO)O5)O)O)O)O)O

General information

Molecular formula

C27H30O16

Molecular weight

610.52 g/mol

Monoisotopic mass

610.1534 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Setaria italica (L.) P.Beauv. subsp. viridis (L.) Thell. leaf -
Gluchoff-fiasson, K., Jay, M., Viricel, M.R. (1989). Flavone o- and c-glycosides from Setaria italica. Phytochemistry, 28(9), 2471-2475 doi:10.1016/s0031-9422(00)98008-7