1–SINAPOYL–2–FERULOYLGENTIOBIOSE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11193428
Name
1–SINAPOYL–2–FERULOYLGENTIOBIOSE
IUPAC name
(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
SMILES
COC1=CC(=CC(=C1O)OC)\C(=C(\C(=O)O[C@@H]3O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)O)[C@@H](O)[C@H](O)[C@H]3OC(=O)\C(=C(\C4=CC(=C(O)C=C4)OC)[H])[H])[H])[H]
Molecular formula
C33H40O18
Molecular weight
724.67 g/mol
Monoisotopic mass
724.2215 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Polygala major Jacq. | - | - |
Comprehensive characterization of in vivo metabolic profile of Polygalae radix based on ultra-high-performance liquid chromatography tandem mass spectrometry (SI) doi:10.1016/j.jpba.2018.12.005
|