Elloramycin
Grundinformationen
- CAS
97218-42-3- Standard-SMILES
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(OC)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O- InChIKey
OYEXGNNKRQPUBW-FJYHMNRNSA-N- Summenformel
- C32H36O15
- Durchschnittliche Molmasse
- 660,6 g/mol
- Monoisotopische Masse
- 660,20542044
Überblick
Elloramycin A is a member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively. It has a role as an antimicrobial agent and a bacterial metabolite. It is a tertiary alpha-hydroxy ketone, a methyl ester, an alpha-L-rhamnoside, a carboxylic ester, a member of phenols, an enol ether, a tetracenomycin, an enone and a monosaccharide derivative. It is functionally related to a tetracenomycin C.
Namen und Bezeichner
- Bevorzugter Name
- Elloramycin
- IUPAC
- methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-7H-tetracene-2-carboxylate
- Englischer Name
- elloramycin
- Summenformel
- C32H36O15
- Molmasse
- 660.62
Namen und Synonyme
Elloramycinmethyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-7H-tetracene-2-carboxylatemethyl (6aR,7S,10aR)-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-3-((2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-7H-tetracene-2-carboxylateRefChem:920898Elloramycin A97218-42-3CHEMBL1957887C12381methyl (6aR,7S,10aR)-3-[(6-deoxy-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylateorb3024764SCHEMBL30120600CHEBI:78288
Weitere Namen anzeigen
(6aR)-3-[(2-O,3-O,4-O-Trimethyl-6-deoxy-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6aα,7α,12-trihydroxy-8,10aα-dimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylic acid methyl ester2-Naphthacenecarboxylic acid, 3-[(6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-8,10a-dimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7S,10aR)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 203 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.280
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively.
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