(1S,4As,6S,7S,7As)-1-(β-D-Glucopyranosyloxy)-6-{[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]Oxy}-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylic Acid

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Formula C26H32O13
IUPAC Name (1s,4as,6s,7s,7as)-6-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Mass 552.524 g·mol−1
Heat of Formation -2177.1 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 619.23 Å 3
Surface Area 514.78 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey DVNQRYDJAAFJBQ-GBLWNDTNSA-N
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