PURPUREA GLYCOSIDE A
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 154731698
Name
PURPUREA GLYCOSIDE A
IUPAC name
4-((3S,5R,8R,9R,10R,13R,14R,17S)-3-(((2S,4S,5R,6R)-5-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,4S,5R,6R)-5-hydroxy-6-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
SMILES
C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)[C@H](O)[C@H](O2)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O1)C
Molecular formula
C47H74O18
Molecular weight
927.09 g/mol
Monoisotopic mass
926.4875 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Digitalis lutea L. | leaf | - |
Wichtl, M., Wichtl-bleier, W., Mangkudidjojo, M. (1982). High-performance liquid chromatography analysis of Digitalis leaf extract. J Chromatogr, 247, 359-365
|