Details of Pratioside A
| IUPAC | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4S,5'R,7S,9S,13R)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | C[C@@H]1CCC2([C@H](C3([C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CCC(C6)[C@@]7([C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)O)C)OC1 |
| Inchi | HXYJUHLEFBPRHW-ZKXDQRRYSA-N |
| PubChem ID | 44152530 |
| Smiles | C[C@@H]1C2(CC[C@@H](C)CO2)O[C@H]2CC3C4CC=C5CC([C@@]6(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C21O |
| Class | Spirostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |
