TPCN02087

Name Triptersinine y
Molecular Formula C31H36O11
Molecular Weight 584.62
CAS Registry Number 2222108-41-8
SMILES CC(=O)OC1C2C(O)C(OC(=O)c3ccco3)C3(CO)C(OC(=O)C=Cc4ccccc4)CCC(C)(O)C13OC2(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000002% J Nat Prod 81(2): 270-278.(2018) 10.1021/acs.jnatprod.7b00615
Properties
HBA 11 HBD 3
HeavyAtoms 42 AlogP 2.42
TPSA 161.96 RotatableBonds 7
FractionCSP3 0.52 Rings 5
AromaticRings 2 AliphaticRings 3