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