TPCN05415
![[object Object]](../../static/browser_molecular_png/TPCN05415.png)
| Name | Rubelloside B |
| Molecular Formula | C42H66O14 |
| Molecular Weight | 794.98 |
| CAS Registry Number | 167875-39-0 |
| SMILES | CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Adina rubella | Roots | 0.001240% | Phytochemistry. 1997. 44, 1139-1143. | 10.1016/s0031-9422(96)00660-7. |
| Rubiaceae | Adina rubella | Roots | 0.001240% | Phytochemistry. 1995. 39, 1241-1243. | 10.1016/0031-9422(95)00119-r. |
Properties
| HBA | 14 | HBD | 8 |
| HeavyAtoms | 56 | AlogP | 2.83 |
| TPSA | 232.90 | RotatableBonds | 7 |
| FractionCSP3 | 0.90 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |