Details of Cymbidoside
| IUPAC | (1S,3R,8S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2S,5S)-3,5,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| Canonical Smiles | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCC(=O)C5CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C(C[C@](CO)(C(C)(C)O)O)O |
| Inchi | HESDANYIVQLPLI-PTPJIFFCSA-N |
| PubChem ID | 101316899 |
| Smiles | C[C@H](C(O)C[C@](O)(CO)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]45C[C@@]35CC[C@]12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%5BC%40H%5D%28C%28O%29C%5BC%40%5D%28O%29%28CO%29C%28C%29%28C%29O%29%5BC%40H%5D1CC%5BC%40%40%5D2%28C%29%5BC%40%40H%5D3CC%5BC%40H%5D4C%28CO%5BC%40%40H%5D5O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D5O%29C%28%3DO%29CC%5BC%40%40%5D45C%5BC%40%40%5D35CC%5BC%40%5D12C/file?format=sdf&get3d=True -- C%5BC%40H%5D%28C%28O%29C%5BC%40%5D%28O%29%28CO%29C%28C%29%28C%29O%29%5BC%40H%5D1CC%5BC%40%40%5D2%28C%29%5BC%40%40H%5D3CC%5BC%40H%5D4C%28CO%5BC%40%40H%5D5O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D5O%29C%28%3DO%29CC%5BC%40%40%5D45C%5BC%40%40%5D35CC%5BC%40%5D12C could not be loaded.
| Class | Cycloartane triterpenoids, Ecdysteroids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |