| Summary: | Glycosides are key bioactive constituents in foods and contribute to anti-inflammatory effects. Fructus Gardeniae (FG) and its variant Fructus Gardeniae Grandiflorae (FGG) exhibit distinct anti-inflammatory activities, yet their chemical basis remains unclear. However, the structural diversity of glycosides presents challenges for high-coverage identification. To overcome this limitation, a strategy combining large-scale glycosyl neutral-loss screening, in silico MS2 prediction, and MS2 database was developed for high-coverage identification. A total of 265 glycosides were identified or putatively identified, including 219 newly reported in FG and FGG. Statistical analysis revealed significant differences in 21 glycosides between FG and FGG. Molecular docking suggested that glycosides with significant differences may exhibit potential interactions with anti-inflammatory activity. Cellular assays further showed that two representative glycosides may exhibited anti-inflammatory effects under the tested conditions. Collectively, these findings provide a comprehensive characterization of the glycoside profiles of FG and FGG and highlight their potential for functional food applications.
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