Bock K, Guzmán J F, Duus J O, Ogawa S, Yokoi S
Department of Chemistry, Carlsberg Laboratory, Denmark.
Carbohydr Res. 1991 Jan 15;209:51-65. doi: 10.1016/0008-6215(91)80144-c.
N.m.r. data (1H and 13C) are presented for eight pseudo-trehalose derivatives in which the D-glucopyranosyl moiety is alpha or beta and the 5a-carbaglucopyranoside moiety is alpha-D, beta-D, alpha-L, or beta-L. The differences in the chemical shifts and then n.O.e. effects have been correlated with the preferred conformations estimated from empirical force-field calculations (HSEA), which have been used to calculate the average parameters over the whole energy surface. Of the four alpha-D-glucopyranosyl derivatives, only that with a 5a-carba-beta-D-glucopyranoside moiety (3) was a substrate for glucoamylase.
给出了8种假海藻糖衍生物的核磁共振数据（1H和13C），其中D-吡喃葡萄糖基部分为α或β，5a-碳环吡喃葡萄糖苷部分为α-D、β-D、α-L或β-L。化学位移和随后的核Overhauser效应（n.O.e.）的差异已与根据经验力场计算（HSEA）估计的优选构象相关联，该计算已用于计算整个能量表面上的平均参数。在四种α-D-吡喃葡萄糖基衍生物中，只有具有5a-碳环-β-D-吡喃葡萄糖苷部分的衍生物（3）是葡糖淀粉酶的底物。
