TPCN04260

Name Saikosaponin C;Saikosaponin c
Molecular Formula C48H78O17
Molecular Weight 927.14
CAS Registry Number 20736-08-7
SMILES CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4(C)C(CCC5(C)C4C=CC46OCC7(CCC(C)(C)CC74)C(O)CC56C)C3(C)C)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Bupleurum falcatum Roots 0.003300% J Sep Sci 37(23): 3587-3594. 10.1002/jssc.201400871
Lamiaceae Clinopodium polycephalum Aerial parts 0.000125% J Asian Nat Prod Res . 2017 Jul;19(7):697-703 10.1080/10286020.2016.1254199
Properties
HBA 17 HBD 10
HeavyAtoms 65 AlogP 0.63
TPSA 266.91 RotatableBonds 8
FractionCSP3 0.96 Rings 9
AromaticRings 0 AliphaticRings 9