Three new steroidal glycosides, metapregnoside A-C (-), together with one known compound, byzantionoside B (), were isolated from the fresh whole herb of by using high-speed countercurrent chromatography and semi-preparative liquid chromatography. Their structures and relative configurations were elucidated by spectroscopic methods including 1D NMR, 2D NMR and HR-ESI-MS. The potential targets of compound - were identified by virtual screening. And the potential inhibitory effects of these compounds on tyrosine protein kinases were compared by molecular docking. Byzantionoside B () was the first isolated compound from genus. The docking score of metapregnoside C () was the highest. And the sugar chain residues at position C-20 in the pregn-4-en-3-one derivatives is the main factor affecting their docking scores on tyrosine protein kinases Fes/Fps.
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| http://dx.doi.org/10.1080/14786419.2020.1839458 | DOI Listing |
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