TPCN04073
![[object Object]](../../static/browser_molecular_png/TPCN04073.png)
| Name | Lablaboside A |
| Molecular Formula | C54H86O23 |
| Molecular Weight | 1103.26 |
| CAS Registry Number | 209802-26-6 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Araliaceae | Panax quinquefolium | Roots | 0.000090% | Chem Pharm Bull (Tokyo), 1998, 46, 647-654. | 10.1248/cpb.46.647 |
Properties
| HBA | 23 | HBD | 13 |
| HeavyAtoms | 77 | AlogP | -0.92 |
| TPSA | 370.97 | RotatableBonds | 11 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |