SAPONARIOSIDE K
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21670103
Name
SAPONARIOSIDE K
IUPAC name
2-((1R,2R,4aR,4bS,6R,6aR,10aS,12aR)-6a-((((2S,3R,4S,5R,6R)-3,5-dihydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-6-hydroxy-1-(3-hydroxypropyl)-1,4a,4b,9,9-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-2-yl)acrylic acid
SMILES
C[C@]1(C[C@@H]2[C@@]([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@H]([C@@]4(CCCO)C)C(=C)C(=O)O)C)C)O)(CC1)C(=O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)CO[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)C
Molecular formula
C48H76O21
Molecular weight
989.12 g/mol
Monoisotopic mass
988.4879 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Saponaria officinalis L. | - | - |
Koike, K., Jia, Z.H., Nikaido, T. (1999). New triterpenoid saponins and sapogenins from Saponaria officinalis. J Nat Prod, 62(12), 1655-1659 doi:10.1021/np990311r
|