TPCN03950
Name | 3-O-??-D-glucopyranosyl betulinic acid 28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester;3-O-b-D-glucopyranosyl betulinic acid 28-O-glucopyranosyl (1??6)-b-D-glucopyranosyl ester |
Molecular Formula | C48H78O18 |
Molecular Weight | 943.13 |
CAS Registry Number | 194474-46-9 |
SMILES | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Araliaceae | Cussonia racemosa | Leaves | 0.001120% | Chem Pharm Bull (Tokyo). 2002. 50, 1290-1293. | 10.1248/cpb.50.1290. |
Rubiaceae | Mussaenda pubescens | Aerial parts | 0.000250% | Phytochemistry 45, 1073-1078 (1997). | 10.1016/s0031-9422(97)00089-7 |
Properties
HBA | 18 | HBD | 11 |
HeavyAtoms | 66 | AlogP | 0.00 |
TPSA | 294.98 | RotatableBonds | 10 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |