TPCN05598
![[object Object]](../../static/browser_molecular_png/TPCN05598.png)
| Name | Symplocososide I |
| Molecular Formula | C65H102O24 |
| Molecular Weight | 1267.51 |
| CAS Registry Number | 849667-90-9 |
| SMILES | CCC(C)C(=O)OC1C(OC(=O)C=C(C)CCC=C(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(OC7OC(CO)C(O)C7O)C(OC(C)=O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Symplocaceae | Symplocos paniculata | Roots | 0.000091% | Planta Med. 2005. 71, 666-672. | 10.1055/s-2005-871274 |
Properties
| HBA | 24 | HBD | 10 |
| HeavyAtoms | 89 | AlogP | 2.73 |
| TPSA | 362.88 | RotatableBonds | 19 |
| FractionCSP3 | 0.85 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |