TPCN01981

Name Triptersinines F
Molecular Formula C32H37NO13
Molecular Weight 643.64
CAS Registry Number 1416246-30-4
SMILES CC(=O)OCC12C(OC(C)=O)CCC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccoc1)C3OC(=O)c1cccnc1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000028% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 14 HBD 1
HeavyAtoms 46 AlogP 2.56
TPSA 186.99 RotatableBonds 8
FractionCSP3 0.56 Rings 5
AromaticRings 2 AliphaticRings 3