(1R,3S,5R,7R,8Z,12R,14Z,16Z,18Z,20Z,22R,24S,25R,26S)-22-[(3-Amino-3,6-Dideoxy-β-D-Mannopyranosyl)Oxy]-1,3,26-Trihydroxy-12-Methyl-10-Oxo-6,11,28-Trioxatricyclo[22.3.1.0~5,7~]Octacosa-8,14,16,18,20-Pentaene-25-Carboxylic Acid

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Formula C33H47NO13
IUPAC Name (1r,3s,5r,7r,8z,12r,14z,16z,18z,20z,22r,24s,25r,26s)-22-[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid
Molecular Mass 665.725 g·mol−1
Heat of Formation -2113.6 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 796.44 Å 3
Surface Area 582.14 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey NCXMLFZGDNKEPB-UDMGDOCSSA-N
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