Details

Autor(en) / Beteiligte

• Li, Xin
• Yang, Sheng-Li
• He, Hao-Ke
• Zhang, Qian-Ru
• Zhang, Ning
• Wang, Su-Juan

Titel

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

Ist Teil von

• Journal of asian natural products research, 2023-05, Vol.25 (5), p.411-421

Ort / Verlag

England: Taylor & Francis

Erscheinungsjahr

2023

Quelle

Taylor & Francis

Beschreibungen/Notizen

• 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.