TPCN03593
![[object Object]](../../static/browser_molecular_png/TPCN03593.png)
| Name | Caraganins B |
| Molecular Formula | C36H54O11 |
| Molecular Weight | 662.82 |
| CAS Registry Number | 143519-23-7 |
| SMILES | CC1(C(=O)O)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Phytolaccaceae | Phytolacca esculenta | Roots | 0.002000% | Phytochemistry, 1992, 31, 2552-2554. | 10.1016/0031-9422(92)83327-u |
Properties
| HBA | 11 | HBD | 6 |
| HeavyAtoms | 47 | AlogP | 3.30 |
| TPSA | 191.05 | RotatableBonds | 5 |
| FractionCSP3 | 0.86 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |