ORIENTIN-6''-O-TRANS-FERULYL-2''-O-XYLOSIDE

Structure

2D structure of ORIENTIN-6''-O-TRANS-FERULYL-2''-O-XYLOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44257950

Names and identifiers

Name

ORIENTIN-6''-O-TRANS-FERULYL-2''-O-XYLOSIDE

IUPAC name

((2S,3S,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)-3,4-dihydroxy-5-(((2S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]2[C@H](C(C([C@@H](O2)C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O[C@H]6C(C([C@@H](CO6)O)O)O)O)O)O

General information

Molecular formula

C36H36O18

Molecular weight

756.67 g/mol

Monoisotopic mass

756.1902 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