TPCN05810

Name Clinoposaponin E
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 191669-76-8
SMILES CC1(C)CCC2(CO)C(=C3C=CC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium chinense Aerial parts 0.000233% Nat Prod Res. 2019 May 28:1-9. 10.1080/14786419.2019.1611811.
Lamiaceae Clinopodium chinense Aerial parts 0.000233% None 10.1080/14786419.2019.1611811
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.52
TPSA 318.37 RotatableBonds 11
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8