TPCN02009

Name Triptersinines H
Molecular Formula C35H37NO14
Molecular Weight 695.67
CAS Registry Number 1416246-40-6
SMILES CC(=O)OCC12C(OC(=O)c3ccoc3)CCC(C)(O)C13OC(C)(C)C(C(OC(=O)c1cccnc1)C2OC(=O)c1ccoc1)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000018% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 15 HBD 1
HeavyAtoms 50 AlogP 3.45
TPSA 200.13 RotatableBonds 9
FractionCSP3 0.49 Rings 6
AromaticRings 3 AliphaticRings 3