Details of gigantea saponin 2
| IUPAC | [(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5OC(=O)[C@@]67CC[C@@]8(C(=CC[C@H]9[C@]8(CC[C@@H]1[C@@]9(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O)O)O)C)C)[C@@H]6CC(CC7)(C)C)C)C)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)O)O)O)O |
| Inchi | YNPUTBKXDIQCGE-MQPSUSBQSA-N |
| PubChem ID | 101612329 |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9OC[C@](O)(CO)[C@H]9O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](C)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[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%28OC%28%3DO%29%5BC%40%5D34CCC%28C%29%28C%29C%5BC%40H%5D3C3%3DCC%5BC%40%40H%5D5%5BC%40%40%5D6%28C%29C%5BC%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D8O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D9OC%5BC%40%5D%28O%29%28CO%29%5BC%40H%5D9O%29%5BC%40H%5D8O%29%5BC%40H%5D7O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D6CC%5BC%40%40%5D5%28C%29%5BC%40%5D3%28C%29CC4%29O%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%5BC%40%40H%5D2O%5BC%40%40H%5D%28C%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D2OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29%5BC%40H%5D1O%5BC%40%40H%5D1OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D2O%5BC%40%40H%5D%28C%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D2O%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%28OC%28%3DO%29%5BC%40%5D34CCC%28C%29%28C%29C%5BC%40H%5D3C3%3DCC%5BC%40%40H%5D5%5BC%40%40%5D6%28C%29C%5BC%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D8O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D9OC%5BC%40%5D%28O%29%28CO%29%5BC%40H%5D9O%29%5BC%40H%5D8O%29%5BC%40H%5D7O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D6CC%5BC%40%40%5D5%28C%29%5BC%40%5D3%28C%29CC4%29O%5BC%40H%5D%28C%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%5BC%40%40H%5D2O%5BC%40%40H%5D%28C%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D2OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29%5BC%40H%5D1O%5BC%40%40H%5D1OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%5BC%40%40H%5D2O%5BC%40%40H%5D%28C%29%5BC%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40H%5D2O%29%5BC%40H%5D1O could not be loaded.
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