TPCN01982

Name Triptersinine z6
Molecular Formula C35H37NO13
Molecular Weight 679.68
CAS Registry Number 2222108-47-4
SMILES CC(=O)OCC12C(OC(=O)c3ccoc3)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 0.000028% J Nat Prod 81(2): 270-278.(2018) 10.1021/acs.jnatprod.7b00615
Properties
HBA 14 HBD 0
HeavyAtoms 49 AlogP 4.33
TPSA 179.90 RotatableBonds 9
FractionCSP3 0.49 Rings 6
AromaticRings 3 AliphaticRings 3