SAPONARIOSIDE M
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21670105
Name
SAPONARIOSIDE M
IUPAC name
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4,6a,6b,11,11,14b-hexamethyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
SMILES
C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(C(=O)O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Molecular formula
C53H84O24
Molecular weight
1,105.23 g/mol
Monoisotopic mass
1,104.5353 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Saponaria officinalis L. | - | - |
Koike, K., Jia, Z.H., Nikaido, T. (1999). New triterpenoid saponins and sapogenins from Saponaria officinalis. J Nat Prod, 62(12), 1655-1659 doi:10.1021/np990311r
|