Auramycin C

methyl (1R,2R,4S)-4-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Also Known As: Auramycin C|methyl (1R,2R,4S)-4-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-methyl-4-((2,3,6-trideoxy-4-(O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-|Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[(4xi)-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-threo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C35H43NO13
Molecular Weight	685.27344 g/mol
LogP	2.4
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	7
Exact Mass	685.27344
Monoisotopic Mass	685.27344
Heavy Atoms	49
Complexity	1250.0

Chemical Identifiers

CAS Number	83753-71-3
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2[C@@H](O[C@H](C[C@@H]2N(C)C)O[C@H]3C[C@@]([C@@H](C4=CC5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6O)C(=O)OC)(C)O)C)O)O
InChIKey	UMJYAGXWXMMVDD-KMOSPXHKSA-N