REINIOSE B
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6325891
Name
REINIOSE B
IUPAC name
(2S,3S,4R,5R)-2-(((2R,3R,4S,5R,6R)-6-(acetoxymethyl)-4-(((2S,3R,4S,5S,6R)-6-(acetoxymethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-(hydroxymethyl)-2-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)tetrahydrofuran-3-yl benzoate
SMILES
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(cc2)O)[C@H](O[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1ccc(cc1)O)COC(=O)C)O)O)O
Molecular formula
C53H62O28
Molecular weight
1,147.05 g/mol
Monoisotopic mass
1,146.3428 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
|