The data presented here are related to the research paper entitled "Rare sulfated purine alkaloid glycosides from pupal case" [1]. In this data article, we provide 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and electrospray ionization mass spectrometry (ESIMS) data of three undescribed sulfated purine alkaloids, locustoside A disulfate, saikachinoside B disulfate, and saikachinoside A trisulfate isolated from the pupal case of the wild bruchid seed beetle (Chrysomelidae, Bruchinae) infesting the seed of Miquel (Fabaceae).
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