TPCN01941

Name Triptersinine z5
Molecular Formula C32H37NO12
Molecular Weight 627.64
CAS Registry Number 2222108-46-3
SMILES CC(=O)OCC12C(OC(C)=O)CCC(C)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1cccnc1)C3OC(=O)c1ccco1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000044% J Nat Prod 81(2): 270-278.(2018) 10.1021/acs.jnatprod.7b00615
Properties
HBA 13 HBD 0
HeavyAtoms 45 AlogP 3.45
TPSA 166.76 RotatableBonds 8
FractionCSP3 0.56 Rings 5
AromaticRings 2 AliphaticRings 3