SANICULOSIDE R-1
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101935953
Name
SANICULOSIDE R-1
IUPAC name
(2S,3S,4S,5R,6R)-3-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8,9-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-((2-methylbutanoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-(((2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
SMILES
CCC(C(O[C@H]1[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3(C([C@@H]2CC1(C)C)=CC[C@@H]4[C@]5(CC[C@@H](C(C)([C@@H]5CC[C@@]34C)C)O[C@@H]6O[C@H](C(O)=O)[C@H]([C@@H]([C@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)O[C@H]8OC[C@H]([C@H]([C@@H]8O)O)O)O)C)C)O)O)CO)O)=O)C
Molecular formula
C52H84O22
Molecular weight
1,061.22 g/mol
Monoisotopic mass
1,060.5454 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Sanicula europaea L. | leaf | - |
Schopke, T., Janka, M., Nimtz, M., Wray, V., Hiller, K. (1998). Saniculoside r-1: a new triterpenoid saponin from Sanicula europaea. Planta Med, 64(1), 83-85 doi:10.1055/s-2006-957377
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