SAPONOSIDE A
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162966538
Name
SAPONOSIDE A
IUPAC name
(2R,3R,4S,5R,6R)-6-(((3R,4S,4aS,6aR,6bR,8aS,12aS,14aS,14bS)-8a-((((2R,3S,4S,5S,6R)-3,5-dihydroxy-4-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((((2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
SMILES
C1[C@H]([C@]([C@@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O)CO[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C)C)C)(C=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C(=O)O)O)O)O
Molecular formula
C54H84O25
Molecular weight
1,133.24 g/mol
Monoisotopic mass
1,132.5302 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Saponaria officinalis L. | root | - |
Kondratenko, E.S., Putieva, Z.M., Abubakirov, N.K. (1981). Triterpene glycosides of plants of the family Caryophyllaceae. Chem Nat Comp, 17(4), 303-317 doi:10.1007/bf01185255
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