20 potentially new compounds and 11 new bioactive constituents found in Smilacis Glabrae Rhizoma utilizing HPLC‐DAD‐ESI‐IT‐TOF‐MSn

Introduction Smilacis Glabrae Rhizoma (SGR) is rich in chemical constituents with a variety of pharmacological activities. However, in‐depth research has yet to be conducted on the chemical and pharmacodynamic constituents of SGR. Materials and methods In this study, the chemical constituents of SGR were analyzed using liquid chromatography–mass spectrometry, and the pharmacodynamic compounds responsible for the medicinal effects of SGR were elucidated through a literature review. Results In total, 20 potentially new compounds, including 16 flavonoids (C19, C20, and C27–C40) and four phenylpropanoids (C107, C112, C113, and C118), together with 161 known ones were identified in the ethanol extract of SGR using liquid chromatography–mass spectrometry, and 25 of them were unequivocally identified by comparison with reference compounds. Moreover, 17 known constituents of them were identified in the plants of genus Smilax for the first time, and 16 were identified in the plant Smilax glabra Roxb. for the first time. Of 161 known compounds, 84 constituents (including isomers) have been reported to have 17 types of pharmacological activities, covering all known pharmacological activities of SGR; among these 84 bioactive constituents, six were found in the plants of genus Smilax for the first time and five were found in S. glabra for the first time, which are new bioactive constituents found in the plants of genus Smilax and the plant S. glabra, respectively. Conclusion The results provide further information on the chemical composition of SGR, laying the foundation for the elucidation of the pharmacodynamic substances of SGR. The chemical constituents of Smilacis Glabrae Rhizoma (SGR) were analyzed using liquid chromatography–mass spectrometry, and the pharmacodynamic compounds responsible for the medicinal effects of SGR were elucidated through a literature review. A total of 181 chemical constituents were identified in the ethanol extract of SGR, including 20 potentially new compounds, 17 first‐discovered constituents (containing six bioactive constituents) in the plants of genus Smilax, and 16 first‐discovered constituents (containing five bioactive constituents) in the plant of Smilax glabra Roxb.