TPCN03254
![[object Object]](../../static/browser_molecular_png/TPCN03254.png)
| Name | Neocrotocascarin |
| Molecular Formula | C25H32O8 |
| Molecular Weight | 460.52 |
| CAS Registry Number | 2247529-73-1 |
| SMILES | C=C1C2CC(C)(C(=O)O2)C2C(=O)OC3(C)C2C1C12OC1(CC(C)C2OC(=O)C(C)CC)C3O |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Croton cascarilloides | Stems | 0.000008% | Chem Pharm Bull (Tokyo) 64, 1492-1498 (2016). | 10.1248/cpb.c16-00500 |
Properties
| HBA | 8 | HBD | 1 |
| HeavyAtoms | 33 | AlogP | 1.92 |
| TPSA | 111.66 | RotatableBonds | 3 |
| FractionCSP3 | 0.80 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |