Details of Purpureagitosid
| IUPAC | 2-[4-[(1R,2S,6R,7S,12S,15R,18S)-16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | C[C@H]1C2C(C[C@@H]3C2(CC[C@H]4[C@H]3CC[C@@H]5C4(C[C@H](C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)O[C@@]1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O |
| Inchi | PYVSHVUPVKOSBE-YYBGWXCUSA-N |
| PubChem ID | 401298 |
| Smiles | CC(CC[C@@]1(O)OC2C[C@H]3[C@@H]4CC[C@H]5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)[C@H](O)CC5(C)[C@H]4CCC3(C)C2[C@@H]1C)COC1OC(CO)C(O)C(O)C1O |
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| Class | Furostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |