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

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Formula C26H30N2O9
IUPAC Name (2s,3s,4s)-4-(3,4-dihydro-2h-pyrido[3,4-b]indol-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-carboxylic acid
Molecular Mass 514.524 g·mol−1
Heat of Formation 1786.8 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 500.38 Å 3
Surface Area 425.09 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -2.72 ± eV
Point Group Symmetry C1
InChIKey NRYVHYMEAMNSJY-BKVABHQRSA-N
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