Details of Chikusetsusaponin V
| IUPAC | (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid |
| Canonical Smiles | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C |
| Inchi | NFZYDZXHKFHPGA-QQHDHSITSA-N |
| PubChem ID | 11815492 |
| Smiles | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%29CCC2%28C%28%3DO%29OC3OC%28CO%29C%28O%29C%28O%29C3O%29CCC3%28C%29C%28%3DCCC4C5%28C%29CCC%28OC6OC%28C%28%3DO%29O%29C%28O%29C%28O%29C6OC6OC%28CO%29C%28O%29C%28O%29C6O%29C%28C%29%28C%29C5CCC43C%29C2C1/file?format=sdf&get3d=True -- CC1%28C%29CCC2%28C%28%3DO%29OC3OC%28CO%29C%28O%29C%28O%29C3O%29CCC3%28C%29C%28%3DCCC4C5%28C%29CCC%28OC6OC%28C%28%3DO%29O%29C%28O%29C%28O%29C6OC6OC%28CO%29C%28O%29C%28O%29C6O%29C%28C%29%28C%29C5CCC43C%29C2C1 could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |