TPCN02016

Name Triptersinines E
Molecular Formula C36H41NO12
Molecular Weight 679.72
CAS Registry Number 1416246-24-6
SMILES CC(=O)OCC12C(OC(=O)C=Cc3ccccc3)CCC(C)(O)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 0.000016% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 13 HBD 1
HeavyAtoms 49 AlogP 3.37
TPSA 173.85 RotatableBonds 9
FractionCSP3 0.50 Rings 5
AromaticRings 2 AliphaticRings 3