Details of Saponin B
| IUPAC | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8)(C)C)C(=O)O)C)C)C)CO)O)O)CO)O)O)O)O)O |
| Inchi | QMJCVEOVVBBZDW-SUBRLUMASA-N |
| PubChem ID | 21606141 |
| Smiles | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OC2C%28OC3C%28OC4CCC5%28C%29C%28CCC6%28C%29C5CC%3DC5C7CC%28C%29%28C%29CCC7%28C%28%3DO%29O%29CCC56C%29C4%28C%29C%29OC%28CO%29C%28O%29C3O%29OC%28CO%29C%28O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OC2C%28OC3C%28OC4CCC5%28C%29C%28CCC6%28C%29C5CC%3DC5C7CC%28C%29%28C%29CCC7%28C%28%3DO%29O%29CCC56C%29C4%28C%29C%29OC%28CO%29C%28O%29C3O%29OC%28CO%29C%28O%29C2O%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
