TPCN04809

Name Paphlagonoside B
Molecular Formula C58H94O26
Molecular Weight 1207.36
CAS Registry Number 1256724-26-1
SMILES CC1OC(OC2C(O)COC(OCC3OC(OC4C(CO)OC(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CCC(O)C(C)(CO)C8CCC7(C)C5(C)CC6)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Cephalaria paphlagonica Aerial parts 0.016534% Nat Prod Res 24, 1337-1346 (2010) 10.1080/14786410903381335
Properties
HBA 26 HBD 15
HeavyAtoms 84 AlogP -2.93
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10