TPCN05874
![[object Object]](../../static/browser_molecular_png/TPCN05874.png)
| Name | ??-neriursate |
| Molecular Formula | C38H54O4 |
| Molecular Weight | 574.85 |
| CAS Registry Number | 1253056-93-7 |
| SMILES | CC(=O)c1ccc(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)O)CCC34C)C2(C)C)cc1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Nerium oleander | Leaves | 0.000023% | Nat Prod Res. 2009;23(17):1603-8. | 10.1080/14786410802573958. |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 42 | AlogP | 9.38 |
| TPSA | 63.60 | RotatableBonds | 4 |
| FractionCSP3 | 0.74 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |