2-(3,4-Dihydroxyphenyl)Ethyl 6-O-(6-Deoxy-α-L-Mannopyranosyl)-4-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]-Beta-D-Glucopyranoside

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Formula C29H36O15
IUPAC Name [(2s,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 624.587 g·mol−1
Heat of Formation -2610.7 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 675.44 Å 3
Surface Area 472.75 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey DTOUWTJYUCZJQD-HXQZBIAESA-N
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