Details of Agavasaponin D
| IUPAC | (1R,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one |
| Canonical Smiles | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)O)C)C)C)OC1 |
| Inchi | OONXKIRGWVQZDH-PAZRYQCWSA-N |
| PubChem ID | 3041802 |
| Smiles | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@H]7C8C[C@@H]9O[C@]%10(CC[C@@H](C)CO%10)[C@@H](C)[C@@H]9[C@@]8(C)C(=O)C[C@@H]76)C5)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[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%40%40H%5D2%5BC%40%40H%5D%28O%5BC%40%40H%5D3OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28CO%29O%5BC%40%40H%5D%28O%5BC%40%40H%5D4%5BC%40%40H%5D%28CO%29O%5BC%40%40H%5D%28O%5BC%40H%5D5CC%5BC%40%40%5D6%28C%29%5BC%40%40H%5D%28CC%5BC%40H%5D7C8C%5BC%40%40H%5D9O%5BC%40%5D%10%28CC%5BC%40%40H%5D%28C%29CO%10%29%5BC%40%40H%5D%28C%29%5BC%40%40H%5D9%5BC%40%40%5D8%28C%29C%28%3DO%29C%5BC%40%40H%5D76%29C5%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29O%5BC%40H%5D%28CO%29%5BC%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%40%40H%5D2%5BC%40%40H%5D%28O%5BC%40%40H%5D3OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28CO%29O%5BC%40%40H%5D%28O%5BC%40%40H%5D4%5BC%40%40H%5D%28CO%29O%5BC%40%40H%5D%28O%5BC%40H%5D5CC%5BC%40%40%5D6%28C%29%5BC%40%40H%5D%28CC%5BC%40H%5D7C8C%5BC%40%40H%5D9O%5BC%40%5D%10%28CC%5BC%40%40H%5D%28C%29CO%10%29%5BC%40%40H%5D%28C%29%5BC%40%40H%5D9%5BC%40%40%5D8%28C%29C%28%3DO%29C%5BC%40%40H%5D76%29C5%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29O%5BC%40H%5D%28CO%29%5BC%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O could not be loaded.
| Class | Spirostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |
