Details of Hongheloside A
| IUPAC | [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate |
| Canonical Smiles | C[C@@H]1[C@H]([C@H](CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O |
| Inchi | JLPDBLFIVFSOCC-VPOXHDBESA-N |
| PubChem ID | 56841096 |
| Smiles | CO[C@H]1CC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)C(c6coc(O)c6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@H]1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CO%5BC%40H%5D1CC%28O%5BC%40H%5D2CC%5BC%40%5D3%28C%29%5BC%40H%5D4CC%5BC%40%5D5%28C%29C%28c6coc%28O%29c6%29%5BC%40%40H%5D%28OC%28C%29%3DO%29C%5BC%40%5D5%28O%29%5BC%40%40H%5D4CC%5BC%40%40H%5D3C2%29O%5BC%40H%5D%28C%29%5BC%40H%5D1O/file?format=sdf&get3d=True -- CO%5BC%40H%5D1CC%28O%5BC%40H%5D2CC%5BC%40%5D3%28C%29%5BC%40H%5D4CC%5BC%40%5D5%28C%29C%28c6coc%28O%29c6%29%5BC%40%40H%5D%28OC%28C%29%3DO%29C%5BC%40%5D5%28O%29%5BC%40%40H%5D4CC%5BC%40%40H%5D3C2%29O%5BC%40H%5D%28C%29%5BC%40H%5D1O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |