CALCULATION OF RETENTION TIMES OF ANTHOCYANINS WITH ORTHOGONALIZED TOPOLOGICAL INDEXES

被引：23

作者：

AMIC, D ^{[1
]}

DAVIDOVICAMIC, D ^{[1
]}

TRINAJSTIC, N ^{[1
]}

机构：

[1] RUDJER BOSKOVIC INST, ZAGREB 41001, CROATIA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1995年 / 35卷 / 01期

关键词：

D O I：

10.1021/ci00023a020

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The HPLC retention times (RT) of 12 anthocyanidin malonylglucosides, which appear in flowers of Hibiscus syriacus, were calculated using several structure-property models based on three different types of orthogonalized topological indices, that is, the path numbers, the connectivity indices, and the Harary indices. The best agreement between the experimental and calculated values is achieved with a model with path numbers. This model is recommended to experimental researchers which are interested in quick assessment of the retention times of their newly found anthocyanin derivatives.

引用

页码：136 / 139

页数：4

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