TPCN03755

Name Prosaikogenin A
Molecular Formula C36H58O8
Molecular Weight 618.85
CAS Registry Number 99365-21-6
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Bupleurum smithii Roots 0.000822% Phytochemistry 42, 1673-1675 (1996). 10.1016/0031-9422(96)00026-x
Fabaceae Cassia sophera Seeds 0.000500% Nat Prod Res 21, 494-499 (2007). 10.1080/14786410601130042
Properties
HBA 8 HBD 6
HeavyAtoms 44 AlogP 3.86
TPSA 139.84 RotatableBonds 4
FractionCSP3 0.89 Rings 6
AromaticRings 0 AliphaticRings 6