TPCN04133
![[object Object]](../../static/browser_molecular_png/TPCN04133.png)
| Name | Buddlejasaponin III |
| Molecular Formula | C47H76O17 |
| Molecular Weight | 913.11 |
| CAS Registry Number | 139523-29-8 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Meliaceae | Aphanamixis grandifolia | Stems | 0.000042% | Phytochemistry 80, 148-155 (2012). | 10.1016/j.phytochem.2012.05.017 |
Properties
| HBA | 17 | HBD | 10 |
| HeavyAtoms | 64 | AlogP | 0.24 |
| TPSA | 266.91 | RotatableBonds | 8 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |