Name: Moenomycin Complex
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212971553
Cas No:11015-37-5
常用名:Moenomycin Complex
IUPAC:(2S)-3-[({[(2S,3S,4S,5R,6R)-4-(acetyloxy)-6-carbamoyl-3-{[(2R,3S,4S,5R,6S)-3-acetamido-5-{[(2R,3S,4S,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(2-hydroxyacetyl)oxy]methyl}oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6Z,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
IUPAC:(2S)-3-[({[(2S,3S,4S,5R,6R)-4-(acetyloxy)-6-carbamoyl-3-{[(2R,3S,4S,5R,6S)-3-acetamido-5-{[(2R,3S,4S,5R,6S)-3-acetamido-4-hydroxy-6-methyl-5-{[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(2-hydroxyacetyl)oxy]methyl}oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6Z,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
InChI key:XACPMMRENXNVRI-IKHIEJTPSA-N

分子式:C66H101N4O31P
分子量:1477.505
氢键供体数 (HBD):14
氢键受体数 (HBA):27
LogP:-0.6394403
SMILES:C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](OP(O)(=O)OC[C@H](OC\C=C(\C)CC\C=C/C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)O[C@@H](C(N)=O)[C@](C)(O)[C@H]3OC(C)=O)O[C@H]2COC(=O)CO)[C@@H](NC(C)=O)[C@H](O)[C@H]1O[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NC1=C(O)CCC1=O
SMILES:C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](OP(O)(=O)OC[C@H](OC\C=C(\C)CC\C=C/C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)O[C@@H](C(N)=O)[C@](C)(O)[C@H]3OC(C)=O)O[C@H]2COC(=O)CO)[C@@H](NC(C)=O)[C@H](O)[C@H]1O[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NC1=C(O)CCC1=O

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