Abstract
Two new resin glycosides named calystegins A-B (1-2), together with seven known compounds (3–9) were isolated from the aerial parts of Calystegia sepium (L.) R. Br (Convolvulaceae). The calystegins were macrolactones of calyhedic acid A or calyhedic acid B, which were esterified partially with different fatty acids. The lactonization site of aglycone and jalapinolic acid, were located at C-2 of the second or third glucoses, respectively. Their structures were thoroughly characterized by extensive spectroscopic analyses as well as chemical evidence. Molecular docking studies revealed that compound 1 and 2 were successfully localized in the binding pocket of α, β-tubulin in zinc-stabilized sheets (ΔGb =-4.68, -4.75 kcal/mol).
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