TPCN02055

Name Triptersinine z3
Molecular Formula C28H36O10
Molecular Weight 532.59
CAS Registry Number 2222108-44-1
SMILES CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(O)C2O)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000008% J Nat Prod 81(2): 270-278.(2018) 10.1021/acs.jnatprod.7b00615
Properties
HBA 10 HBD 3
HeavyAtoms 38 AlogP 1.54
TPSA 148.82 RotatableBonds 6
FractionCSP3 0.61 Rings 4
AromaticRings 1 AliphaticRings 3