TPCN02943
![[object Object]](../../static/browser_molecular_png/TPCN02943.png)
| Name | 3-acetylaconitine |
| Molecular Formula | C36H49NO12 |
| Molecular Weight | 687.78 |
| CAS Registry Number | 77181-26-1 |
| SMILES | CCN1CC2(COC)C(OC(C)=O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum richardsonianum | Roots | 0.000153% | J Pharm Anal 1, 57-59 (2011). | 10.1016/S2095-1779(11)70010-7 |
Properties
| HBA | 13 | HBD | 2 |
| HeavyAtoms | 49 | AlogP | 1.22 |
| TPSA | 159.52 | RotatableBonds | 10 |
| FractionCSP3 | 0.75 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |