(1S)-1,5-Anhydro-6-Deoxy-2-O-(6-Deoxy-α-L-Erythro-Hexopyranosyl)-1-[5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-6-Yl]-D-Glycero-Hex-3-Ulose

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Formula C27H29O13+
IUPAC Name 5,7-dihydroxy-6-[(2s,3s,5r,6r)-5-hydroxy-6-methyl-4-oxo-3-[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 561.511 g·mol−1
Heat of Formation -2122.5 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 600.63 Å 3
Surface Area 458.21 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey KCQFNIYRJNSNLG-MJDGXHDQSA-N
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Elements H C O