TPCN05306
Name | ??-D-Glucopyranosiduronic acid, (3??,4??,16??)-28-[(O-6-deoxy-??-D-galactopyranosyl-(1??3)-O-[O-??-D-galactopyranosyl-(1??3)-O-[??-D-xylopyranosyl-(1??4)]-6-deoxy-??-L-mannopyranosyl-(1??2)]-??-L-arabinopyranosyl)oxy]-16-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-??-D-glucopyranosyl- (9CI) |
Molecular Formula | C70H110O37 |
Molecular Weight | 1543.61 |
CAS Registry Number | 202645-12-3 |
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)CC4O)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 | 0.006333% | J Nat Prod. 1998. 61, 323-327. | 10.1021/np970398l |
Properties
HBA | 37 | HBD | 20 |
HeavyAtoms | 107 | AlogP | -6.99 |
TPSA | 585.03 | RotatableBonds | 18 |
FractionCSP3 | 0.93 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |