Details of Nocturnoside A
| IUPAC | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4S,5'R,7S,8R,9S,13R)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]-4,6-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol |
| Canonical Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)C7(C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(CO2)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)C)C)C)OC1 |
| Inchi | HXWQHQCQOBWGDB-VDYHUCKYSA-N |
| PubChem ID | 195840 |
| Smiles | CC1CCC2(OC1)OC1CC3C4CC=C5CC(C6(OC7OC(CO)C(O)C(O)C7O)OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1CCC2%28OC1%29OC1CC3C4CC%3DC5CC%28C6%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29OC%28CO%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C6OC6OCC%28O%29C%28O%29C6O%29C%28O%29CC5%28C%29C4CCC3%28C%29C1C2C/file?format=sdf&get3d=True -- CC1CCC2%28OC1%29OC1CC3C4CC%3DC5CC%28C6%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29OC%28CO%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C6OC6OCC%28O%29C%28O%29C6O%29C%28O%29CC5%28C%29C4CCC3%28C%29C1C2C could not be loaded.
| Class | Spirostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |