TPCN04065

Name Sessiliside-A1
Molecular Formula C36H54O10
Molecular Weight 646.82
CAS Registry Number 2349379-95-7
SMILES C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Gleditsia sinensis Fruits 0.000095% J Nat Prod 62, 877-881 (1999). 10.1021/np990060m
Properties
HBA 10 HBD 5
HeavyAtoms 46 AlogP 3.03
TPSA 162.98 RotatableBonds 5
FractionCSP3 0.83 Rings 6
AromaticRings 0 AliphaticRings 6