TPCN04516
![[object Object]](../../static/browser_molecular_png/TPCN04516.png)
| Name | Bruceoside A |
| Molecular Formula | C32H42O16 |
| Molecular Weight | 682.67 |
| CAS Registry Number | 63306-30-9 |
| SMILES | COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OC(CO)C(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Simaroubaceae | Brucea javanica | Aerial parts | 0.000400% | Arch Pharm Res 32(5): 661-666. | 10.1007/s12272-009-1503-8 |
Properties
| HBA | 16 | HBD | 6 |
| HeavyAtoms | 48 | AlogP | -2.37 |
| TPSA | 245.04 | RotatableBonds | 6 |
| FractionCSP3 | 0.75 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |