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

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Properties Simple | Detailed

Formula C31H40O15
IUPAC Name [(2r,3r,4r,5r,6r)-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 652.640 g·mol−1
Heat of Formation -2464.3 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 736.23 Å 3
Surface Area 598.45 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey WLWAYPFRKDSFCL-XRFJBTCXSA-N
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Elements H C O