Details of Acobioside a
| IUPAC | 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Canonical Smiles | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| Inchi | CMUOOPXNBJLJQK-KZYPCYBJSA-N |
| PubChem ID | 207908 |
| Smiles | CO[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)O[C@@H](O[C@H]2C[C@@H](O)[C@]3(C)[C@H]4CC[C@]5(C)C(c6coc(O)c6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O |
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| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |