TPCN05339
| Name | ??-D-Glucopyranosiduronic acid, (3??,4??)-28-[(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)oxy]-23,28-dioxoolean-12-en-3-yl 3-O-??-D-galactopyranosyl- (9CI) |
| Molecular Formula | C70H110O36 |
| Molecular Weight | 1527.61 |
| CAS Registry Number | 202645-07-6 |
| SMILES | CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)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 | 0.003500% | J Nat Prod. 1998. 61, 323-327. | 10.1021/np970398l |
Properties
| HBA | 36 | HBD | 19 |
| HeavyAtoms | 106 | AlogP | -5.96 |
| TPSA | 564.80 | RotatableBonds | 18 |
| FractionCSP3 | 0.93 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |