Details of Songarosaponin A
| IUPAC | 2-[6-[2-[[4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-5-hydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)CO)CCC7(C6C=CC8=C9CC(CCC9(CCC87C)CO)(C)C)C)C)C)O)CO)O)O)O |
| Inchi | QUZUQSXPOSEUDF-UHFFFAOYSA-N |
| PubChem ID | 197452 |
| Smiles | CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC5=C7CC(C)(C)CCC7(CO)CCC56C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OC2C%28CO%29OC%28OC3C%28O%29C%28C%29OC%28OC4CCC5%28C%29C%28CCC6%28C%29C5C%3DCC5%3DC7CC%28C%29%28C%29CCC7%28CO%29CCC56C%29C4%28C%29CO%29C3OC3OC%28CO%29C%28O%29C%28O%29C3O%29C%28O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OC2C%28CO%29OC%28OC3C%28O%29C%28C%29OC%28OC4CCC5%28C%29C%28CCC6%28C%29C5C%3DCC5%3DC7CC%28C%29%28C%29CCC7%28CO%29CCC56C%29C4%28C%29CO%29C3OC3OC%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 |