Sulfurmycin C
methyl (1R,2S,4S)-4-[(2R,4S,5S,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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Sulfurmycin C|methyl (1R,2S,4S)-4-[(2R,4S,5S,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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate|1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-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-(2-oxopropyl)-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))-|(1R)-1,2,3,4,6,11-Hexahydro-2alpha,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4alpha-[[4-O-(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,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|methyl (1R,2S,4S)-4-{[(2R,4S,5S,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-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|Methyl 2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-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 | C37H45NO14 |
|---|---|
| Molecular Weight | 727.284 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 727.284 |
| Monoisotopic Mass | 727.284 |
| Heavy Atoms | 52 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 83753-75-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[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)(CC(=O)C)O)C)O)O |
| InChIKey | PSUQQLCSYKMETC-JUMBGEQRSA-N |
Product Overview
Sulfurmycin C (CAS 83753-75-7), with molecular formula C37H45NO14 and molecular weight 727.284 g/mol. IUPAC: methyl (1R,2S,4S)-4-[(2R,4S,5S,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-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate.