Name: Midecamycin
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212658517
Cas No:35457-80-8
常用名:Midecamycin
别名:麦迪霉素, Turimycin P3, Rubimycin, Platenomycin B1, Medecamycin A1, Espinomycin A, Antibiotic SF-837
别名:麦迪霉素, Turimycin P3, Rubimycin, Platenomycin B1, Medecamycin A1, Espinomycin A, Antibiotic SF-837
IUPAC:(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoate
IUPAC:(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoate
InChI key:DMUAPQTXSSNEDD-QALJCMCCSA-N

分子式:C41H67NO15
分子量:813.979
氢键供体数 (HBD):3
氢键受体数 (HBA):13
LogP:3.267
SMILES:CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C |t:32,34|
SMILES:CCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C |t:32,34|

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