Sibiricose A4
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10533120
Name
Sibiricose A4
IUPAC name
(2S,3S,4R,5R)-2-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-5-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate
SMILES
O=C(/C=C/C1=CC(OC)=C(O)C(OC)=C1)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O[C@]3(CO)O[C@H](CO)[C@H]([C@@H]3OC(/C=C/C4=CC(OC)=C(C(OC)=C4)O)=O)O
Molecular formula
C34H42O19
Molecular weight
754.69 g/mol
Monoisotopic mass
754.2320 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
|