Abstract
Analyzing bitterness is challenging because of the diverse range of bitter compounds, the variability in sensory perception, and its complex interaction with other tastes. To address this, we developed an untargeted approach to deconvolute the taste and molecular composition of complex plant extracts. We applied our methodology to an ethanolic extract of Swertia chirayita (Roxb.) H.Karst., a plant recognized for its distinctive bitterness. Chemical characterization was performed through nuclear magnetic resonance spectroscopy experiments together with untargeted liquid chromatography-high resolution tandem mass spectrometry analysis coupled to a charged aerosol detector. After clustering the fractions based on chemical similarity, we performed free sensory analysis and classical descriptive analysis on each cluster. Our results confirmed the attribution of bitterness to iridoids and highlighted the role of other important compounds in the overall taste. This method provides a systematic approach for analyzing and potentially enhancing the taste profiles of plant-based beverages.