TPCN05060
![[object Object]](../../static/browser_molecular_png/TPCN05060.png)
| Name | Virgaureasaponin 3 |
| Molecular Formula | C71H116O36 |
| Molecular Weight | 1545.67 |
| CAS Registry Number | 112509-54-3 |
| SMILES | CC1OC(OC2C(OC3C(O)COC(OC4C(C)OC(OC5C(OC(=O)C67CCC(C)(C)CC6C6=CCC8C9(C)CC(O)C(OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)C(C)(CO)C9CCC8(C)C6(C)CC7O)OC(C)C(O)C5O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Solidago virgaurea | Aerial parts | 0.000778% | Phytochemistry 31, 621-623 (1992) | 10.1016/0031-9422(92)90047-t |
Properties
| HBA | 36 | HBD | 21 |
| HeavyAtoms | 107 | AlogP | -6.90 |
| TPSA | 571.12 | RotatableBonds | 17 |
| FractionCSP3 | 0.96 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |