BELLISOSIDE F
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 102206912
Name
BELLISOSIDE F
IUPAC name
(2S,3R,4S,5R,6R)-3-(((2S,3R,4R,5R,6S)-3-acetoxy-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-5-(((S)-3-(((S)-3-(((S)-3-(((S)-3-hydroxybutanoyl)oxy)butanoyl)oxy)butanoyl)oxy)butanoyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
SMILES
C[C@H](O)CC(=O)O[C@@H](C)CC(=O)O[C@@H](C)CC(=O)O[C@@H](C)CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2OC(=O)C)[C@H]1O
Molecular formula
C77H122O35
Molecular weight
1,607.79 g/mol
Monoisotopic mass
1,606.7767 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bellis perennis L. | root | - |
Li, W., Asada, Y., Koike, K., Nikaido, T., Furuya, T., Yoshikawa, T. (2005). Bellisosides a-f, six novel acylated triterpenoid saponins from Bellis perennis (Compositae). Tetrahedron, 61(11), 2921-2929 doi:10.1016/j.tet.2005.01.026
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