TPCN04022
![[object Object]](../../static/browser_molecular_png/TPCN04022.png)
| Name | Comastomasaponin J |
| Molecular Formula | C48H78O18 |
| Molecular Weight | 943.13 |
| CAS Registry Number | 1868172-57-9 |
| SMILES | CC1CCC23COC4(C=CC5C6(C)CCC(OC7OC(C)C(O)C(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Gentianaceae | Comastoma pedunculatum | Aerial parts | 0.000140% | J Asian Nat Prod Res 17, 239-247 (2015). | 10.1080/10286020.2014.984699 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 66 | AlogP | -0.54 |
| TPSA | 287.14 | RotatableBonds | 9 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |