TPCN01313

Name Salasol B
Molecular Formula C33H38O10
Molecular Weight 594.66
CAS Registry Number 673450-41-4
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)CC(OC(=O)c1ccccc1)C2O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Salacia chinensis Stems 0.000760% Chem Pharm Bull (Tokyo) 51(9): 1051-1055.(2003) 10.1248/cpb.51.1051
Properties
HBA 10 HBD 1
HeavyAtoms 43 AlogP 3.89
TPSA 134.66 RotatableBonds 7
FractionCSP3 0.52 Rings 5
AromaticRings 2 AliphaticRings 3