Abstract: Traditional Chinese medicine, as a treasure of the Chinese nation, has a long history and rich cultural connotations. Over the past few hundred years, a large number of active compounds with clear structure, significant activity and elucidated mechanism have been discovered. Their research constitutes the material basis for traditional Chinese medicine research. However, the natural components of traditional Chinese medicine have diverse skeletons and complex structures. In addition to small molecule monomer compounds, more and more recent studies have found that there are new forms of material basis for traditional Chinese medicines to exert their pharmacological effects, such as supramolecules formed by active monomer compounds, and bio-macromolecules with pharmacological activity. This article focuses on new forms of the material basis of traditional Chinese medicine, and through analysis of new technologies, mechanisms, and applications, it aims to provide new ideas for research on the material basis of efficacy in traditional Chinese medicine and its pharmacokinetic/pharmacodynamic correlation.