TPCN03955
![[object Object]](../../static/browser_molecular_png/TPCN03955.png)
| Name | Comastomasaponin K |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.28 |
| CAS Registry Number | 1868172-58-0 |
| SMILES | CC1CCC23COC4(C=CC5C6(C)CCC(OC7OC(C)C(O)C(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8OC8OC(CO)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 | 0.000240% | J Asian Nat Prod Res 17, 239-247 (2015). | 10.1080/10286020.2014.984699 |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 77 | AlogP | -2.72 |
| TPSA | 366.29 | RotatableBonds | 12 |
| FractionCSP3 | 0.96 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |