TPCN05541
![[object Object]](../../static/browser_molecular_png/TPCN05541.png)
| Name | Phytolacacinoside A |
| Molecular Formula | C49H78O22 |
| Molecular Weight | 1019.14 |
| CAS Registry Number | 1207326-54-2 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC(OC)C4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Phytolaccaceae | Phytolacca acinosa | Roots | 0.000220% | J Asian Nat Prod Res. 2009. 11, 433-438. | 10.1080/10286020902849266. |
Properties
| HBA | 22 | HBD | 12 |
| HeavyAtoms | 71 | AlogP | -2.50 |
| TPSA | 350.74 | RotatableBonds | 11 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |