TPCN04141

Name Clinopoursaponins A
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 2145105-52-6
SMILES CC1CCC2(CO)C(O)CC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium chinense Aerial parts 0.000037% Arch Pharm Res 41, 1117-1130 (2018). 10.1007/s12272-017-0943-9
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 1.94
TPSA 177.14 RotatableBonds 5
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6