Auramycin E
methyl (1R,2R,4S)-4-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-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 E|Auramycin F|methyl (1R,2R,4S)-4-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-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-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-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-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-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-4-O-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]-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-dideoxy-4-O-(5-hydroxy-6-methyloxan-2-yl)hexopyranosyl)-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-dideoxy-4-O-(5-hydroxy-6-methyloxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
| Molecular Formula | C41H53NO15 |
|---|---|
| Molecular Weight | 799.3415 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 799.3415 |
| Monoisotopic Mass | 799.3415 |
| Heavy Atoms | 57 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 83753-72-4 |
|---|---|
| SMILES | C[C@H]1[C@@H](CC[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)OC3[C@@H](O[C@H](C[C@@H]3N(C)C)O[C@H]4C[C@@]([C@@H](C5=CC6=C(C(=C45)O)C(=O)C7=C(C6=O)C=CC=C7O)C(=O)OC)(C)O)C)C)O |
| InChIKey | WGLYNEPBFANBDP-AXVDPITDSA-N |
Product Overview
Auramycin E (CAS 83753-72-4), with molecular formula C41H53NO15 and molecular weight 799.3415 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.