Details of Vallaroside
| IUPAC | 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-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 | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O |
| Inchi | VPUNMTHWNSJUOG-LMYROWQCSA-N |
| PubChem ID | 199590 |
| Smiles | COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(c5coc(O)c5)CCC43O)C2)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC1C%28O%29C%28C%29OC%28OC2CCC3%28C%29C%28CCC4C3CCC3%28C%29C%28c5coc%28O%29c5%29CCC43O%29C2%29C1O/file?format=sdf&get3d=True -- COC1C%28O%29C%28C%29OC%28OC2CCC3%28C%29C%28CCC4C3CCC3%28C%29C%28c5coc%28O%29c5%29CCC43O%29C2%29C1O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |