Name: Clostomycin B2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319258
Cas No:106008-70-2
常用名:Clostomycin B2
别名:Tiacumicin C, Lipiarmycin B3
IUPAC:(2R,3S,4S,5S,6R)-6-{[(3E,5Z,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4S,5S)-4,5-dihydroxy-6,6-dimethyl-3-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
IUPAC:(2R,3S,4S,5S,6R)-6-{[(3E,5Z,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4S,5S)-4,5-dihydroxy-6,6-dimethyl-3-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
InChI key:JFUVEKVTRJCUMZ-XTUPLNDBSA-N

分子式:C52H74Cl2O18
分子量:1058.05
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(C\C=C(/C)\C=C(C)\[C@H](O[C@@H]2OC(C)(C)[C@@H](O)[C@H](O)[C@@H]2OC(=O)C(C)C)[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C/C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC)/C(=O)O1)[C@@H](C)O |c:3,6,31,37,39|
SMILES:[H][C@]1(C\C=C(/C)\C=C(C)\[C@H](O[C@@H]2OC(C)(C)[C@@H](O)[C@H](O)[C@@H]2OC(=O)C(C)C)[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C/C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC)/C(=O)O1)[C@@H](C)O |c:3,6,31,37,39|

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