Josamycin
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Molecular Identity
Josamycin
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
PubChem CID: 5282165
Josamycin is a macrolide antibiotic produced by certain strains of Streptomyces narbonensis var. josamyceticus. It has a role as a metabolite and an antibacterial drug. It is an aldehyde, a glycoside, a macrolide antibiotic, a tertiary alcohol, an acetate ester, a tertiary amino compound and a disaccharide derivative.
2D Structure
Properties
C42H69NO15
Molecular Formula
828.00
Molecular Weight
g/mol
827.4667
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
206
TPSA
May have limited oral absorption
3
H-Bond Donors
16
H-Bond Acceptors
1390
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)OIsomeric SMILES
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)OSynonyms(20)
josamycinLeucomycin A3Turimycin A5Kitasamycin A316846-24-5JosamycineJosamicinaAntibiotic yl-704 A3JosamycinumiosalidejosaminaLeucomycin V, 3-acetate 4B-(3-methylbutanoate)EN-141JomybelYl-704 A3
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Josamycin
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