TPCN05301
| Name | Olean-12-en-28-oic acid, 3-[(O-??-D-glucopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-6-deoxy-??-L-mannopyranosyl-(1??6)-O-??-D-galactopyranosyl-(1??4)-??-D-glucopyranosyl)oxy]-, ??-D-glucopyranosyl ester, (3??)- (9CI) |
| Molecular Formula | C66H108O31 |
| Molecular Weight | 1397.56 |
| CAS Registry Number | 197080-58-3 |
| SMILES | CC1OC(OC2C(C)OC(OCC3OC(OC4C(CO)OC(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC67C)C5(C)C)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Araliaceae | Trevesia sundaica | Aerial parts | 0.006667% | J Nat Prod. 1997. 60, 1070-1074. | 10.1021/np970263f |
Properties
| HBA | 31 | HBD | 18 |
| HeavyAtoms | 97 | AlogP | -4.33 |
| TPSA | 491.97 | RotatableBonds | 16 |
| FractionCSP3 | 0.95 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |