Details of Glucodigitoxigenin
| IUPAC | 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O |
| Inchi | CMHWMOGWFZWDMR-FVGBAMMESA-N |
| PubChem ID | 15558776 |
| Smiles | CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(c3coc(O)c3)CCC12O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC12CCC%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29CC1CCC1C2CCC2%28C%29C%28c3coc%28O%29c3%29CCC12O/file?format=sdf&get3d=True -- CC12CCC%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29CC1CCC1C2CCC2%28C%29C%28c3coc%28O%29c3%29CCC12O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |