TPCN02056

Name Triptersinines K
Molecular Formula C31H36O14
Molecular Weight 632.62
CAS Registry Number 1416246-54-2
SMILES CC(=O)OCC12C(OC(=O)c3ccoc3)CCC(C)(O)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1ccoc1)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000008% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 14 HBD 1
HeavyAtoms 45 AlogP 2.76
TPSA 187.24 RotatableBonds 8
FractionCSP3 0.58 Rings 5
AromaticRings 2 AliphaticRings 3