Details of CLEMONTANOSIDE B
| IUPAC | [4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)O)C)(C)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O |
| Inchi | HNMWWBLBQZSWGD-UHFFFAOYSA-N |
| PubChem ID | 179846 |
| Smiles | CC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OCC2OC%28OC%28%3DO%29C34CCC%28C%29%28C%29CC3C3%3DCCC5C6%28C%29CCC%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28C%29%28C%29C6CCC5%28C%29C3%28C%29CC4%29C%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29C%28O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OCC2OC%28OC%28%3DO%29C34CCC%28C%29%28C%29CC3C3%3DCCC5C6%28C%29CCC%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28C%29%28C%29C6CCC5%28C%29C3%28C%29CC4%29C%28OC3OC%28CO%29C%28O%29C%28O%29C3O%29C%28O%29C2O%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |