2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl 6-O-(6-Deoxyhexopyranosyl)-4-O-[3-(3,4-Dihydroxyphenyl)Acryloyl]Hexopyranoside

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Formula C29H36O16
IUPAC Name [(2r,3s,4r,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 640.587 g·mol−1
Heat of Formation 334.9 ± 16.7 kJ·mol−1
Dipole Moment 16.17 ± 1.08 D
Volume 578.1 Å 3
Surface Area 471.96 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -3.05 ± eV
Point Group Symmetry C1
InChIKey IAXBXCJUSPUULA-SKYXPKOZSA-N
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