TPCN02064

Name Triptersinine z8
Molecular Formula C36H41NO11
Molecular Weight 663.72
CAS Registry Number 2222108-49-6
SMILES CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CCC(C)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1cccnc1)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000007% J Nat Prod 81(2): 270-278.(2018) 10.1021/acs.jnatprod.7b00615
Properties
HBA 12 HBD 0
HeavyAtoms 48 AlogP 4.25
TPSA 153.62 RotatableBonds 9
FractionCSP3 0.50 Rings 5
AromaticRings 2 AliphaticRings 3