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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.

Aromatic diglycosides from Sophora tonkinensis and a multi-step conformer filtering procedure for TDDFT calculation of flexible glycoside