TPCN05302

Name Mutongsaponin B
Molecular Formula C52H82O23
Molecular Weight 1075.21
CAS Registry Number 920517-99-3
SMILES C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lardizabalaceae Akebia trifoliata Stems 0.006667% Phytochemistry. 2006. 67, 2697-2705. 10.1016/j.phytochem.2006.09.003.
Properties
HBA 23 HBD 14
HeavyAtoms 75 AlogP -2.90
TPSA 374.13 RotatableBonds 11
FractionCSP3 0.90 Rings 9
AromaticRings 0 AliphaticRings 9