TPCN04890
![[object Object]](../../static/browser_molecular_png/TPCN04890.png)
| Name | Durantanin IV |
| Molecular Formula | C48H78O20S |
| Molecular Weight | 1007.20 |
| CAS Registry Number | 1193750-93-4 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(COC6OC(CO)C(OS(=O)(=O)O)C(O)C6O)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Verbenaceae | Duranta repens | Leaves | 0.012222% | Molecules 14, 1952-1965 (2009). | 10.3390/molecules14051952 |
Properties
| HBA | 20 | HBD | 10 |
| HeavyAtoms | 69 | AlogP | 1.00 |
| TPSA | 318.12 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |