Methyl (3E,4S)-3-Ethylidene-2-{[6-O-(β-D-Glucopyranosyl)-β-D-Glucopyranosyl]Oxy}-4-{2-[2-(4-Hydroxyphenyl)Ethoxy]-2-Oxoethyl}-3,4-Dihydro-2H-Pyran-5-Carboxylate

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Formula C31H42O17
IUPAC Name methyl (4s,5e,6r)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxo-ethyl]-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylate
Molecular Mass 686.655 g·mol−1
Heat of Formation -2960.8 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 757.2 Å 3
Surface Area 493.88 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey FVQYDVAAZIXQID-KQOHBANFSA-N
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