4-Hydroxyphenyl 2-O-[(2E)-4-(1-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Yl)-2-Butenoyl]-6-O-[(2E)-3-(1-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Yl)-2-Propenoyl]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C31H30O13
IUPAC Name [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[[(e)-3-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxymethyl]-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] (e)-4-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)but-2-enoate
Molecular Mass 610.562 g·mol−1
Heat of Formation -1770.4 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 695.18 Å 3
Surface Area 496.43 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey CDKLGOOXJLZPAG-LKSTZPJCSA-N
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