TPCN04676
![[object Object]](../../static/browser_molecular_png/TPCN04676.png)
| Name | Bruceajavanin C |
| Molecular Formula | C33H50O8 |
| Molecular Weight | 574.76 |
| CAS Registry Number | 1417426-14-2 |
| SMILES | COC1OC(C(O)C(C)(C)O)CC1C1CC=C2C1(C)CC(O)C1C3(C)C=CC(=O)C(C)(C)C3CC(OC(C)=O)C21C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Simaroubaceae | Brucea javanica | Aerial parts | 0.000120% | Arch Pharm Res 32(5): 661-666. | 10.1007/s12272-009-1503-8 |
Properties
| HBA | 8 | HBD | 3 |
| HeavyAtoms | 41 | AlogP | 3.96 |
| TPSA | 122.52 | RotatableBonds | 5 |
| FractionCSP3 | 0.82 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |