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B3LYP/6‐31G(d,p) fully optimized structures showing the 11 possible distinct configurations of sugar moieties (highlighted in tube modes) for rutin molecule (CH3–C5′′′ group axial indicated). The equivalent structures with the CH3–C5′′′ group in the equatorial position are indicated in parenthesis. Intra‐molecular sugar–sugar H bonds are indicated by dotted line.
