Abstract
Three previously undescribed aromatic diglycosides (1, 5, and 8) and six known analogs (2–4, 6, 7, and 9) were isolated from the roots and rhizomes of Sophora tonkinensis Gagnep. Their structures were elucidated by detailed spectroscopic analysis. The absolute configuration of compound 8 was determined by comparing the experimental and TDDFT calculated ECD spectra of 8 and aglycone 8a. Furthermore, a multistep conformer filtering procedure for TDDFT calculation of flexible glycoside was proposed, which afforded high accuracy with acceptable computing cost in determining the absolute configuration of glycosides using quantum calculated ECD.
Graphical Abstract
![](/cms/asset/560e9d06-67cf-4f71-8aa2-56a30317d024/ganp_a_2100359_uf0001_c.jpg)
Acknowledgments
Thanks Mr. Feng Chen and Mr. Runben Chen for the modification of the Python scripts.
Disclosure statement
No potential conflict of interest was reported by the author(s).