Auramycin A

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-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 A|TN9065|methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-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-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester,(1R-(1-alpha,2-beta,4-beta))-|methyl (1R,2R,4S)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,|(1R)-1,2,3,4,6,11-Hexahydro-2alpha,5,7-trihydroxy-2-methyl-6,11-dioxo-4alpha-[[4-O-[4-O-[(2R)-tetrahydro-6alpha-methyl-5-oxo-2H-pyran-2beta-yl]-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl]-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester|Methyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|METHYL (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(DIMETHYLAMINO)-5-{[(2S,4S,5S,6S)-4-HYDROXY-6-METHYL-5-{[(2R,6S)-6-METHYL-5-OXOOXAN-2-YL]OXY}OXAN-2-YL]OXY}-6-METHYLOXAN-2-YL]OXY}-2,5,7-TRIHYDROXY-2-METHYL-6,11-DIOXO-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-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C41H51NO15
Molecular Weight	797.32587 g/mol
LogP	3.3
Topological Polar Surface Area	217.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	797.32587
Monoisotopic Mass	797.32587
Heavy Atoms	57
Complexity	1510.0

Chemical Identifiers

CAS Number	78173-92-9
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)C(=O)OC)(C)O)N(C)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O
InChIKey	UFVSOHSXEJJBKL-UFJKXKKKSA-N