TPCN02227
![[object Object]](../../static/browser_molecular_png/TPCN02227.png)
| Name | Acobretine A |
| Molecular Formula | C33H46N2O7 |
| Molecular Weight | 582.74 |
| CAS Registry Number | 156318-68-2 |
| SMILES | CCN1CC2(COC(=O)c3ccccc3N)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C(CC23)C14)C5C6OC |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum brevicalcaratum | Whole plants | 0.006000% | Nat Prod Res 33, 1741-1746 (2019). | 10.1080/14786419.2018.1437435 |
Properties
| HBA | 9 | HBD | 2 |
| HeavyAtoms | 42 | AlogP | 3.55 |
| TPSA | 109.55 | RotatableBonds | 8 |
| FractionCSP3 | 0.76 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |