TPCN03972
![[object Object]](../../static/browser_molecular_png/TPCN03972.png)
| Name | Buddlejasaponin IIIa |
| Molecular Formula | C48H80O18 |
| Molecular Weight | 945.15 |
| CAS Registry Number | 155740-28-6 |
| SMILES | COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(OC6OCC(O)C(O)C6O)C(O)C5O)C4O)CCC3(C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Thalictri herba | Aerial parts | 0.000204% | Chem Pharm Bull (Tokyo), 1994, 42, 101-104. | 10.1248/cpb.42.101 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 66 | AlogP | -0.15 |
| TPSA | 287.14 | RotatableBonds | 10 |
| FractionCSP3 | 0.96 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |