Dataset of 62 Lignan Chemical Constituents from Saussurea medusa

Saussurea medusa Maxim. is a traditional Tibetan medicinal plant native to the Qinghai-Tibet Plateau region, and its lignan compounds are recognized as the characteristic and major bioactive constituents of this plant. Based on published scientific literature and specialized chemical databases, this study systematically compiled the fundamental information of 62 lignan compounds that have been isolated and identified from S. medusa, including compound names, molecular formulas, molecular weights, chemical structures, and references. To facilitate further structural analysis, visualization, and computational simulation by researchers, this dataset not only provides structured tabular data but also supplements ChemDraw editable format structure files (.cdx format) for all 62 compounds, ensuring a one-to-one correspondence with the compound serial numbers. This dataset aims to offer systematic, convenient, and extensible foundational data support for multidimensional research on S. medusa, including chemical composition studies, bioactive compound screening, drug development, structure-activity relationship analysis, molecular docking, and quality control, thereby promoting the modern research and sustainable utilization of this Tibetan medicinal resource.