TPCN04160

Name Clinopoursdponins D
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 2145105-55-9
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CC(O)C(C)C(C)C63)C(O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium chinense Aerial parts 0.000023% Arch Pharm Res 41, 1117-1130 (2018). 10.1007/s12272-017-0943-9
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -1.57
TPSA 307.37 RotatableBonds 9
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9