TPCN04247

Name Saikosaponin B2
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 58316-41-9
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
Apiaceae Bupleurum falcatum Roots 0.004100% J Sep Sci 37(23): 3587-3594. 10.1002/jssc.201400871
Properties
HBA 13 HBD 9
HeavyAtoms 55 AlogP 1.68
TPSA 218.99 RotatableBonds 7
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7