[(1R,2S,3R,5R,6R,8S)-6-Hydroxy-3-{[6-O-(4-Hydroxybenzoyl)-β-D-Glucopyranosyl]Oxy}-8-Methyl-9,10-Dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]Dec-2-Yl]Methyl 4-Hydroxybenzoate

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Formula C30H30O14
IUPAC Name [(1r,2s,3r,5r,6r,8s)-6-hydroxy-3-{[6-o-(4-hydroxybenzoyl)-β-d-glucopyranosyl]oxy}-8-methyl-9,10-dioxatetracyclo[4.3.1.0 2,5 .0 3,8 ]dec-2-yl]methyl 4-hydroxybenzoate
Molecular Mass 614.551 g·mol−1
Heat of Formation -2216.0 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 680.11 Å 3
Surface Area 535.34 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey ICDRIPCQQSUIDZ-HRCYFWENSA-N
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