TPCN02545
![[object Object]](../../static/browser_molecular_png/TPCN02545.png)
| Name | Aquoside B |
| Molecular Formula | C31H54O13 |
| Molecular Weight | 634.76 |
| CAS Registry Number | 1062129-24-1 |
| SMILES | C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(OC3OC(CO)C(O)C(O)C3O)CCC12C |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aquilegia hybrida | Aerial parts | 0.000781% | Chem Pharm Bull (Tokyo) 56, 1009-1012 (2008). | 10.1248/cpb.56.1009 |
Properties
| HBA | 13 | HBD | 9 |
| HeavyAtoms | 44 | AlogP | -1.07 |
| TPSA | 218.99 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |