Details of Pedunculoside
| IUPAC | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| Inchi | LARPFJIXBULVPK-FBAXZNBGSA-N |
| PubChem ID | 14286954 |
| Smiles | C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%5BC%40%40H%5D1CC%5BC%40%5D2%28C%28%3DO%29O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29CC%5BC%40%5D3%28C%29C%28%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D2%5BC%40%5D1%28C%29O/file?format=sdf&get3d=True -- C%5BC%40%40H%5D1CC%5BC%40%5D2%28C%28%3DO%29O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29CC%5BC%40%5D3%28C%29C%28%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D2%5BC%40%5D1%28C%29O could not be loaded.
| Class | Ursane and Taraxastane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |