2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Oxo-4H-Chromen-3-Yl 2-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Formula C28H33O17+
IUPAC Name 3-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chromen-4-one
Molecular Mass 641.551 g·mol−1
Heat of Formation -2792.6 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 678.71 Å 3
Surface Area 522.0 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey CEZKIFXYWPTANH-WHDIKITISA-N
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