TPCN05296
| Name | Olean-12-en-28-oic acid, 3-[(3-O-??-D-galactopyranosyl-??-D-glucopyranosyl)oxy]-23-oxo-, O-6-deoxy-??-D-galactopyranosyl-(1??3)-O-[O-??-D-glucopyranosyl-(1??3)-O-[??-D-xylopyranosyl-(1??4)]-6-deoxy-??-L-mannopyranosyl-(1??2)]-??-L-arabinopyranosyl ester, (3??,4??)- (9CI, ACI) |
| Molecular Formula | C70H112O35 |
| Molecular Weight | 1513.63 |
| CAS Registry Number | 202645-14-5 |
| SMILES | CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Spergularia ramosa | Aerial parts | 0.007000% | J Nat Prod. 1998. 61, 323-327. | 10.1021/np970398l |
Properties
| HBA | 35 | HBD | 19 |
| HeavyAtoms | 105 | AlogP | -6.05 |
| TPSA | 547.73 | RotatableBonds | 18 |
| FractionCSP3 | 0.94 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |