TPCN04425

Name Primulagenin A;Genins A
Molecular Formula C30H50O3
Molecular Weight 458.73
CAS Registry Number 465-95-2
SMILES CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Amaranthaceae Cornulaca monacantha Leaves 0.002500% Planta Med 26, 289-292 (1974). 10.1055/s-0028-1099389
Theaceae Camellia sasanqua Buds 0.000700% Chem Pharm Bull (Tokyo) 58(12): 1617-1621. 10.1248/cpb.58.1617
Properties
HBA 3 HBD 3
HeavyAtoms 33 AlogP 6.11
TPSA 60.69 RotatableBonds 1
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5