TPCN04486
![[object Object]](../../static/browser_molecular_png/TPCN04486.png)
| Name | Centellasaponin B |
| Molecular Formula | C42H68O16 |
| Molecular Weight | 828.99 |
| CAS Registry Number | 386223-75-2 |
| SMILES | CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Centella asiatica | Aerial parts | 0.000460% | Chem Pharm Bull (Tokyo) 49(10): 1368-1371. | 10.1248/cpb.49.1368 |
Properties
| HBA | 16 | HBD | 11 |
| HeavyAtoms | 58 | AlogP | -0.91 |
| TPSA | 276.52 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |