单糖及其甙类化合物^(13)C-NMR数据库的计算机检索和解析

Mono-Carbohydrates & Its Glycosides Compounds ^(13)C-NMR Database & Computer Search & Analysis

在IBM—PC/XT微型机上,用dBASE—Ⅲ语言设计完成“单糖及其甙类化合物^(13)C-NMR数据库计算机检索和解析(简称 MCGSA)系统”。该系统数据部分采用关系式数据库结构,程序部分采用了功能模块化的层次结构。具有概念清晰,布局合理,使用方便和利于维护等特点。可以对未知化合物图谱进行检索,给出相近化合物的结构相关信息。实现对库中数据的位移规律的计算机解析,达到辅助化学家分析测定化合物结构的目的。

The“Mono-carbohydrates & its glycosides compounds ^(13)C-NMR database & com-puter search & analysis(MCGSA)system”has been designed in dBASE Ⅲ language onthe IBM PC/XT microcomputer,in which data is stored in the relational database struc-ture and the program in designed in function model structure.Totally,it has the featuresas the clear concepts,resonable structure,convenient for usage and good formantanance etc..This system can search the unknow compound spectrum,and gives outthe information about its structure.The realization of computer summarizing the law of thechemical shift range for all the data in the database would help the chemist to analyse anddetermine the structure of compounds.