Glunicate

[(3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate

Also Known As: Glunicate|KST-1A8569|(5xi)-2-deoxy-1,3,4,6-tetrakis-o-(pyridin-3-ylcarbonyl)-2-[(pyridin-3-ylcarbonyl)amino]-|A-d-xylo-hexopyranose|(5xi)-2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)-beta-D-xylo-hexopyranose|[(3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate|2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)hexopyranose

Molecular Formula	C36H28N6O10
Molecular Weight	704.1867 g/mol
LogP	2.65
Topological Polar Surface Area	207.98 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	704.1867
Heavy Atoms	52
Complexity	1993.6

Chemical Identifiers

CAS Number	85259-71-8
SMILES	C1=CC(=CN=C1)C(=O)N[C@@H]2[C@H]([C@@H](C(O[C@H]2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6