TPCN03829

Name Saikosaponin B3;Saikosaponin b3
Molecular Formula C43H72O14
Molecular Weight 813.04
CAS Registry Number 58316-42-0
SMILES COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)CCC3(C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.002150% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Apiaceae Bupleurum falcatum Roots 0.001700% J Sep Sci 37(23): 3587-3594. 10.1002/jssc.201400871
Fabaceae Derris eriocarpa Stems 0.000533% J Agric Food Chem 65, 2357-2363 (2017). 10.1021/acs.jafc.7b00137
Properties
HBA 14 HBD 9
HeavyAtoms 57 AlogP 1.39
TPSA 228.22 RotatableBonds 8
FractionCSP3 0.95 Rings 7
AromaticRings 0 AliphaticRings 7