TPCN05013
![[object Object]](../../static/browser_molecular_png/TPCN05013.png)
| Name | Pittangretoside I |
| Molecular Formula | C48H76O20 |
| Molecular Weight | 973.12 |
| CAS Registry Number | 1593946-72-5 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C(CC(C)(C)CCO)C(C(=O)O)=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 |
|---|---|---|---|---|---|
| Pittosporaceae | Pittosporum angustifolium | Leaves | 0.001429% | Planta Med 79, 1461-1469 (2013) | 10.1055/s-0033-1350806 |
Properties
| HBA | 20 | HBD | 12 |
| HeavyAtoms | 68 | AlogP | -0.06 |
| TPSA | 332.28 | RotatableBonds | 14 |
| FractionCSP3 | 0.88 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |