SANICULOSIDE B
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 180888
Name
SANICULOSIDE B
IUPAC name
(2S,3S,4S,5R,6R)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((6aR,6bS,7S,8R,8aS,9R,12aR,14bR)-7,8,9-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
SMILES
C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3([C@@H]([C@@H]([C@@]5([C@@H]4CC(C[C@H]5O)(C)C)CO)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molecular formula
C42H68O16
Molecular weight
828.99 g/mol
Monoisotopic mass
828.4507 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Sanicula europaea L. | root | - |
Kuhner, K., Voigt, G., Hiller, K., Rabe, H., Franke, P., Dube, G., Habisch, D. (1985). Glycoside structures of saponins from Sanicula europaea L. part 39. on the knowledge of the constituents of some saniculoideae. Pharmazie, 40(8), 576-578
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