TPCN03589
Name | Urs-12-en-28-oic acid, 3-(??-L-arabinopyranosyloxy)-19-hydroxy-, ??-D-glucopyranosyl ester, (3??,20??)- (9CI, ACI) |
Molecular Formula | C41H66O13 |
Molecular Weight | 766.97 |
CAS Registry Number | 489469-89-8 |
SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Patrinia scabiosaefoli | Roots | 0.002150% | Arch Pharm Res, 2001, 24, 416-417. | 10.1007/bf02975186 |
Properties
HBA | 13 | HBD | 8 |
HeavyAtoms | 54 | AlogP | 1.93 |
TPSA | 215.83 | RotatableBonds | 5 |
FractionCSP3 | 0.93 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |