TPCN04706

Name (3??,16??)-16,28dihydroxyolean-12-en-3-O-??-D-glucopyranosyl(1??2)-??-D-glucuronopyranoside;??-D-Glucopyranosiduronic acid, (3??,16??)-16,28-dihydroxyolean-12-en-3-yl 2-O-??-D-glucopyranosyl- (9CI, ACI)
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 150975-93-2
SMILES CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Gymnema inodorum Leaves 0.000406% Jpn J Pharmacol. 2001 Jun;86(2):223-9. 10.1254/jjp.86.223.
Asteraceae Artemisia sphaerocephala Whole plants 0.000098% Nat Prod Res 22(18): 1633-1636. 10.1080/14786410701869564
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 1.85
TPSA 236.06 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7