Methyl (2S)-4-(3,4-Dihydro-2H-β-Carbolin-1-Ylmethyl)-2-(β-D-Glucopyranosyloxy)-3-Vinyl-3,4-Dihydro-2H-Pyran-5-Carboxylate

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Formula C27H33N2O9
IUPAC Name methyl (2s,3r,4r)-4-(3,4-dihydro-2h-pyrido[3,4-b]indol-9-ium-1-id-1-ylmethyl)-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
Molecular Mass 529.559 g·mol−1
Heat of Formation -1205.7 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 603.42 Å 3
Surface Area 493.77 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey GBXUQSDDFGRJFS-VUVGFSIXSA-N
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