In order to explore the taste characteristics and molecular sensory basis of Chinese yellow tea, in this study, quantitative descriptive analysis (QDA) and partial least squares regression (PLSR) were used to analyze the sensory characteristics and chemical components of 15 yellow tea samples from different regions of China. The results showed that: 11 sensory descriptors and their definitions were obtained by QDA, namely, sweet, umami, bitter, sour, astringent, sweet after taste, mellow, neutral, after-taste, thick and tainted taste. The results of variance indicated that there were significant variation in taste sub-attributes of different samples ( p  <0.05). Principal component analysis indicated that there was a positive correlation between bitter and astringent, between sweet, umami and sour, and between mellow, thick, after-taste and neutral. All yellow tea samples were divided into four categories according to cluster analysis. The results of PLSR showed that there were 22 chemical components that had an important contribution to the taste characteristics of yellow tea, and the chemical components that had an important influence on each taste component were obtained. The identification of key contribution components of taste characteristics in yellow teas will provide a theoretical basis for further research on the directional adjustment and control of tea taste quality.