Details of Cantalasaponin 3
| IUPAC | 5-[4-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol |
| Canonical Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(C9OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1 |
| Inchi | FYOUZAVGEYRIAZ-UHFFFAOYSA-N |
| PubChem ID | 175951 |
| Smiles | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6C(O)C(O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
| Class | Spirostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |