SCOPARIN-2''-O-BETA-D-GLUCOSIDE
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Name
SCOPARIN-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)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
SMILES
COC1=C(C=CC(=C1)C2=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
Molecular formula
C28H32O16
Molecular weight
624.55 g/mol
Monoisotopic mass
624.1690 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| 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
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