TPCN02042

Name Triptersinoids B
Molecular Formula C30H38O12
Molecular Weight 590.62
CAS Registry Number 2579128-06-4
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13CC(C(OC(C)=O)C2OC(=O)c1ccccc1)C(C)(C)O3
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000011% Bioorg Chem 92: 103288.(2019) 10.1016/j.bioorg.2019.103288
Properties
HBA 12 HBD 1
HeavyAtoms 42 AlogP 2.28
TPSA 160.96 RotatableBonds 7
FractionCSP3 0.63 Rings 4
AromaticRings 1 AliphaticRings 3