TPCN00458
![[object Object]](../../static/browser_molecular_png/TPCN00458.png)
| Name | Vangagrestosides B |
| Molecular Formula | C44H72O20 |
| Molecular Weight | 921.04 |
| CAS Registry Number | 2562383-67-7 |
| SMILES | CC(=CCO)CCC=C(C)C(=O)OC1C(OC2C(O)C(C)OC(OCC=C(C)CCC=C(C)COC3OC(C)C(O)C(O)C3O)C2O)OC(C)C(O)C1OC1OC(C)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Vangueria agrestis | Aerial parts | 0.000254% | Nat Prod Res, 2020, 1-9. | 10.1080/14786419.2020.1731744 |
Properties
| HBA | 20 | HBD | 10 |
| HeavyAtoms | 64 | AlogP | -0.73 |
| TPSA | 302.44 | RotatableBonds | 19 |
| FractionCSP3 | 0.80 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |