Details of Robinioside B
| IUPAC | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(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-3,4-dihydroxyoxane-2-carboxylic acid |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7C[C@](C[C@H]8O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| Inchi | JCHUCLMYSKXMOY-ONPSNPSHSA-N |
| PubChem ID | 101635859 |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)C(C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6C[C@](C)(C(=O)O)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%5BC%40%40H%5D1O%5BC%40%40H%5D%28O%5BC%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29C%28C%28%3DO%29O%29O%5BC%40H%5D3O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29%5BC%40%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D4CC%3DC4%5BC%40%40H%5D6C%5BC%40%5D%28C%29%28C%28%3DO%29O%29C%5BC%40%40H%5D%28O%29%5BC%40%5D6%28C%29CC%5BC%40%5D45C%29%5BC%40%40%5D3%28C%29CO%29O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O/file?format=sdf&get3d=True -- C%5BC%40%40H%5D1O%5BC%40%40H%5D%28O%5BC%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29C%28C%28%3DO%29O%29O%5BC%40H%5D3O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29%5BC%40%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D4CC%3DC4%5BC%40%40H%5D6C%5BC%40%5D%28C%29%28C%28%3DO%29O%29C%5BC%40%40H%5D%28O%29%5BC%40%5D6%28C%29CC%5BC%40%5D45C%29%5BC%40%40%5D3%28C%29CO%29O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |