Cyclodextrins (CDs) are cyclic sugars with many industrial applications. Hardly any functionalized CD is manufactured as a single structure, but as a collection of molecules with different number and location of chemical groups, characterized by an average degree of substitution (DS). This collection represents a realistic sulfobutylether-beta-CD distribution, with an average DS=6.5. It consists of 1000 structures, created by computational chemistry and statistical algorithms. Each element of the collection is a unique CD structure, characterized by a code formed by 3 strings. The first one (si), specifies the total number of substitutions; the second is just a sequential number for each si, and the third represents the glucopyranoside units (GPU) sequence: “2”, “3” and “6” means that the substitution is just in O2, O3 or O6, respectively; “8” “9” and “5” represents a GPU simultaneously substituted in O2+O6, O3+O6 or O2+O3, respectively. More info about the project at bitsofsugar.com

Cyclodextrins (CDs) are cyclic sugars with many industrial applications. Hardly any functionalized CD is manufactured as a single structure, but as a collection of molecules with different number and location of chemical groups, characterized by an average degree of substitution (DS). This collection represents a realistic sulfobutylether-beta-CD distribution, with an average DS=6.5. It consists of 1000 structures, created by computational chemistry and statistical algorithms. Each element of the collection is a unique CD structure, characterized by a code formed by 3 strings. The first one (si), specifies the total number of substitutions; the second is just a sequential number for each si, and the third represents the glucopyranoside units (GPU) sequence: “2”, “3” and “6” means that the substitution is just in O2, O3 or O6, respectively; “8” “9” and “5” represents a GPU simultaneously substituted in O2+O6, O3+O6 or O2+O3, respectively. More info about the project at bitsofsugar.com

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