Chromomycin A2

[(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate

Also Known As: Chromomycin A2|Aburamycin A|AburamycinA|Chromomycin A(sub 2)|AburaMycin A, NSC 131187|[(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate|2,2,2-Tribromethyl-2-chlor-4-t-butylphenyl-phosphorochloridat|(2S,3S,4S,6S)-6-(((2R,3R,4R,6S)-6-(((2R,3R,4R,6S)-6-(((2S,3S)-6-(((2S,4R,5S,6R)-5-acetoxy-4-(((2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-((1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl isobutyrate|Chromomycinone, 6-(2,6-dideoxy-4-O-(2,6-dideoxy-4-O-methyl-D-lyxo-hexopyranosyl)-D-lyxo-hexopyranoside) 2-(O-2,6-dideoxy-3-C-methyl-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-D-arabino-hexopyranosyl-(1-3)-2,6-dideoxy-D-arabino-hexopyranoside), monoacetate, isobutyrate|((2S,3S,4R,6S)-6-((2R,3R,4S,6S)-6-((2R,3R,4S,6S)-6-(((2S,3S)-6-((2S,4R,5R,6R)-5-acetyloxy-4-((2R,4R,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-3-((1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl)oxy)-3-hydroxy-2-methyloxan-4-yl)oxy-3-hydroxy-2-methyloxan-4-yl)oxy-4-hydroxy-2,4-dimethyloxan-3-yl) 2-methylpropanoate|((2S,3S,4S,6S)-6-((2R,3R,4R,6S)-6-((2R,3R,4R,6S)-6-(((2S,3S)-6-((2S,4R,5S,6R)-5-acetyloxy-4-((2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-3-((1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl)oxy)-3-hydroxy-2-methyloxan-4-yl)oxy-3-hydroxy-2-methyloxan-4-yl)oxy-4-hydroxy-2,4-dimethyloxan-3-yl) 2-methylpropanoate|(1S)-1-C-((2S,3S)-7-((4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)-beta-D-lyxo-hexopyranosyl)oxy)-3-((O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-alpha-L-arabino-hexopyranosyl(1->3)-O-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl)-5-deoxy-1-O-methyl-D-threo-2-pentulose|[(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5S,6R)-5-acetoxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]oxy-3-hydroxy-2-methyl-tetrahydropyran-4-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 2-methylpropanoate

Molecular Formula	C59H86O26
Molecular Weight	1210.5408 g/mol
LogP	3.3
Topological Polar Surface Area	359.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	26
Rotatable Bonds	21
Exact Mass	1210.5408
Monoisotopic Mass	1210.5408
Heavy Atoms	85
Complexity	2240.0

Chemical Identifiers

CAS Number	6992-70-7
SMILES	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8)C)OC(=O)C(C)C)(C)O)O
InChIKey	WPLCTUHONLQGIX-TWTCTLMISA-N