TPCN03706

Name Clinoposaponin D
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 1822328-43-7
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(CO)CCC5(CO)C(O)CC34C)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 0.001067% Nat Prod Res 30, 1001-1008 (2016). 10.1080/14786419.2015.1095745
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.52
TPSA 318.37 RotatableBonds 11
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8