(1S,4As,12As)-3-Acetyl-9-{[2,6-Dideoxy-3-O-(2,6-Dideoxy-β-D-Arabino-Hexopyranosyl)-β-D-Arabino-Hexopyranosyl]Oxy}-2,6,7-Trihydroxy-1-Methoxy-8-Methyl-4,5-Dioxo-1,5,12,12A-Tetrahydro-4A(4H)-Tetracenyl 2,6-Dideoxy-3-C-Methyl-β-D-Ribo-Hexopyranosyl-(1->3)-2,6-Dideoxy-β-D-Lyxo-Hexopyranosyl-(1->3)-2,6-Dideoxy-β-D-Arabino-Hexopyranoside

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Properties Simple | Detailed

Formula C53H72O24
IUPAC Name (4s,4as,12as)-2-acetyl-12a-[(2s,4r,5r,6r)-4-[(2s,4r,5s,6r)-4-[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-[(2s,4r,5r,6r)-4-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,10,11-trihydroxy-4-methoxy-9-methyl-4a,5-dihydro-4h-tetracene-1,12-dione
Molecular Mass 1093.124 g·mol−1
Heat of Formation -4407.9 ± 16.7 kJ·mol−1
Dipole Moment 10.44 ± 1.08 D
Volume 1224.0 Å 3
Surface Area 937.85 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey HCTADUCAPFYREF-OFWAWROCSA-N
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