TPCN03621

Name Saikosaponin B1;Saikosaponin b1;Saikosaponins b1
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 58558-08-0
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Derris eriocarpa Stems 0.001667% J Agric Food Chem 65, 2357-2363 (2017). 10.1021/acs.jafc.7b00137
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.000950% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Apiaceae Bupleurum falcatum Roots 0.000870% J Sep Sci 37(23): 3587-3594. 10.1002/jssc.201400871
Lamiaceae Clinopodium polycephalum Aerial parts 0.000522% J Asian Nat Prod Res . 2017 Jul;19(7):697-703 10.1080/10286020.2016.1254199
Fabaceae Derris eriocarpa Stems 0.000150% J Agric Food Chem 65, 2357-2363 (2017). 10.1021/acs.jafc.7b00137
Properties
HBA 13 HBD 9
HeavyAtoms 55 AlogP 1.68
TPSA 218.99 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7