VERBASCOSAPONIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 188264
Name
VERBASCOSAPONIN
IUPAC name
(2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(((2R,3R,4S,5R,6R)-3-hydroxy-6-(((3S,4R,4aR,6aR,6bS,12aR,14aR,14bS)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-2-methyl-5-(((2S,3R,4R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@@H](C([C@@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@H]([C@]5(C)CO)CC[C@@]7([C@@H]6C=CC89[C@]7(CCC1([C@H]8CC(CC1)(C)C)CO9)C)C)C)C)O)CO)O)O)O
Molecular formula
C54H88O21
Molecular weight
1,073.28 g/mol
Monoisotopic mass
1,072.5818 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Verbascum phlomoides L. | flower | - |
Klimek, B. (1996). Hydroxycinnamoyl ester glycosides and saponins from flowers of Verbascum phlomoides. Phytochemistry, 43(6), 1281-1284 doi:10.1016/s0031-9422(96)00446-3
|
| Verbascum phlomoides L. | flower | - |
Sepulveda, S., Tschesche, R. (1980). A new saponin isolated from Verbascum philomoides. Contrib Cient Tecnol(Univ Tec Estado,Santiago), 10(1), 5-14
|
| Verbascum phlomoides L. | flower | - |
Tschesche, R., Sepulveda, S., Braun, T.M. (1980). Triterpenes.xxxiii. on the saponins of the flowers of Verbascum phlomoides.l. Chem Ber, 113, 1754-1760
|