TPCN03999

Name Saikosaponin A
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 20736-09-8
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Albizia procera Whole plants 0.000170% J Nat Prod, 1998, 61, 440-445. 10.1021/np970538r
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 1.78
TPSA 207.99 RotatableBonds 6
FractionCSP3 0.95 Rings 8
AromaticRings 0 AliphaticRings 8