PRIMULASAPONIN 1
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 49787015
Name
PRIMULASAPONIN 1
IUPAC name
(2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@@]89[C@@H]1CC(CC[C@]1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C)C)C(=O)O)O)CO)O)O)O)O)O
Molecular formula
C54H88O23
Molecular weight
1,105.28 g/mol
Monoisotopic mass
1,104.5716 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Primula veris L. subsp. columnae (Ten.) Maire & Petitm. | root | - |
Siems, K., Jaensch, M., Jakupovic, J. (1998). Structures of the two saponins isolated from commercially available root extract of Primula sp. Planta Med, 64(3), 272-274 doi:10.1055/s-2006-957425
|
| Primula veris L. subsp. columnae (Ten.) Maire & Petitm. | root | - |
Wagner, H., Reger, H. (1986). Primula root extract-hplc analysis. Dtsch Apoth Ztg, 126(28), 1489-1495
|