TPCN03659
![[object Object]](../../static/browser_molecular_png/TPCN03659.png)
| Name | Lablaboside B |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 208390-12-9 |
| 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)CO)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 |
|---|---|---|---|---|---|
| Lamiaceae | Clinopodium micranthum | Whole plants | 0.001306% | Phytochemistry, 1993, 34, 485-488. | 10.1016/0031-9422(93)80035-q |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -1.94 |
| TPSA | 391.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |