TPCN02023

Name Triptersinines J
Molecular Formula C29H34O13
Molecular Weight 590.58
CAS Registry Number 1416246-48-4
SMILES CC(=O)OCC12C(OC(C)=O)CCC(C)(O)C13OC(C)(C)C(C(O)C2OC(=O)c1ccoc1)C3OC(=O)c1ccoc1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000014% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 13 HBD 2
HeavyAtoms 42 AlogP 2.19
TPSA 181.17 RotatableBonds 7
FractionCSP3 0.59 Rings 5
AromaticRings 2 AliphaticRings 3