Name: Lonomycin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600576
Cas No:58785-63-0
常用名:Lonomycin A
别名:Emericid, (R)-Lonomycin B
IUPAC:(2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,4'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4'-methoxy-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
IUPAC:(2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,4'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4'-methoxy-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
InChI key:BKZOUCVNTCLNFF-IGXZVFLKSA-N

分子式:C44H76O14
分子量:829.078
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@](C)(O1)[C@]1([H])O[C@]([H])([C@H](OC)[C@@H]1C)[C@@]1([H])O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C)[C@]1(C)CC[C@]2(C[C@H](OC)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@]2([H])O[C@@](O)([C@H](C)C(O)=O)[C@H](C)[C@@H](OC)[C@H]2C)O1
SMILES:[H][C@@]1(CC[C@](C)(O1)[C@]1([H])O[C@]([H])([C@H](OC)[C@@H]1C)[C@@]1([H])O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C)[C@]1(C)CC[C@]2(C[C@H](OC)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@]2([H])O[C@@](O)([C@H](C)C(O)=O)[C@H](C)[C@@H](OC)[C@H]2C)O1

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