Vineomycin B2
(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid
Also Known As: Vineomycin B2|OS-4742B2|(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid|(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]ox|2-Anthracenebutanoic acid, 6-(2,6-dideoxy-4-O-(5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-arabino-hexopyranosyl)-beta-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-9,10-dihydro-1,5-dihyd roxy-beta-methyl-9,10-dioxo-|2-Anthracenebutanoic acid, 6-(2,6-dideoxy-4-O-(5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-arabino-hexopyranosyl)-beta-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-9,10-dihydro-1,5-dihydroxy-beta-methyl-9,10-dioxo-|4-(1,5-dihydroxy-6-(4-hydroxy-6-methyl-5-(6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)oxyoxan-2-yl)-9,10-dioxoanthracen-2-yl)-3-methyl-3-(6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)oxybutanoic acid
| Molecular Formula | C49H58O18 |
|---|---|
| Molecular Weight | 934.3623 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 934.3623 |
| Monoisotopic Mass | 934.3623 |
| Heavy Atoms | 67 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 80928-52-5 |
|---|---|
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5O)C[C@](C)(CC(=O)O)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7C=CC(=O)[C@@H](O7)C)O)C)O[C@H]8C=CC(=O)[C@@H](O8)C |
| InChIKey | NIXHEPPGVVKFMQ-SVDKGFTASA-N |
Product Overview
Vineomycin B2 (CAS 80928-52-5), with molecular formula C49H58O18 and molecular weight 934.3623 g/mol. IUPAC: (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxybutanoic acid.