TPCN05724
| Name | ??-D-Glucopyranosiduronic acid, (3??,16??)-16,28-dihydroxyolean-12-en-3-yl O-6-deoxy-??-L-mannopyranosyl-(1??2)-O-??-D-galactopyranosyl-(1??3)-O-[??-D-glucopyranosyl-(1??2)]- (9CI, ACI) |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.28 |
| CAS Registry Number | 148843-59-8 |
| SMILES | CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Theaceae | Ternstroemia japonica | Fruits | 0.002134% | J Nat Prod. 2003 Oct;66(10):1351-5 | 10.1021/np0301644. |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 77 | AlogP | -1.47 |
| TPSA | 374.13 | RotatableBonds | 12 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |