3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-5-Pentylphenyl β-D-Glucopyranosiduronic Acid

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Formula C27H38O8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1r,6s)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-phenoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 490.586 g·mol−1
Heat of Formation -1456.4 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 610.97 Å 3
Surface Area 472.95 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
InChIKey DTPDUSBNMCFKKQ-SOJDERBVSA-N
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