[(1R,4As,5R,7Ar)-1-(β-D-Glucopyranosyloxy)-5-Hydroxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl 4-Hydroxybenzoate

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Formula C22H26O11
IUPAC Name [(1r,4as,5r,7ar)-5-hydroxy-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-oxocyclohexa-2,5-diene-1-carboxylate
Molecular Mass 466.435 g·mol−1
Heat of Formation -1790.9 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 514.25 Å 3
Surface Area 424.73 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey GLACGTLACKLUJX-FRAFBTIOSA-N
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Elements H C O