TPCN04061
![[object Object]](../../static/browser_molecular_png/TPCN04061.png)
| Name | Acantrifoside A |
| Molecular Formula | C48H78O18 |
| Molecular Weight | 943.13 |
| CAS Registry Number | 215167-38-7 |
| SMILES | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Clinopodium chinense | Aerial parts | 0.000100% | Arch Pharm Res 41, 1117-1130 (2018). | 10.1007/s12272-017-0943-9 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 66 | AlogP | -0.01 |
| TPSA | 294.98 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |