TPCN04168

Name Clinopourscponins C
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 2145105-54-8
SMILES CC1CCC23COC4(C=CC5C6(C)CCC(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium chinense Aerial parts 0.000017% Arch Pharm Res 41, 1117-1130 (2018). 10.1007/s12272-017-0943-9
Properties
HBA 18 HBD 11
HeavyAtoms 66 AlogP -0.54
TPSA 287.14 RotatableBonds 9
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9