TPCN05250

Name Leucanthoside A
Molecular Formula C58H94O26
Molecular Weight 1207.36
CAS Registry Number 904692-21-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Cephalaria leucantha Aerial parts 0.076667% Magn Reson Chem. 2006. 44, 731-735. 10.1002/mrc.1834
Properties
HBA 26 HBD 15
HeavyAtoms 84 AlogP -2.93
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10