Name: A-130A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212677861
Cas No:51257-84-2
常用名:A-130A
别名:Lenoremycin, Antibiotic Ro 21 6150, Antibiotic A 130A, A 130A
别名:Lenoremycin, Antibiotic Ro 21 6150, Antibiotic A 130A, A 130A
IUPAC:(2S,4R,6E,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,5R,7R,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-9-{[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-2,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
IUPAC:(2S,4R,6E,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,5R,7R,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-9-{[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-2,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
InChI key:LQFPDTISEHAMNQ-JRSQRZRGSA-N

分子式:C47H78O13
分子量:851.128
氢键供体数 (HBD):3
氢键受体数 (HBA):13
LogP:8.539524
SMILES:CO[C@H]1CC[C@H](O[C@@H]2C[C@H](O[C@@]3(CC[C@](C)(O3)[C@H]3CC[C@@H](C)[C@@]4(O[C@H](C[C@@H]4C)[C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)O3)[C@@H]2C)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)O[C@@H]1C
SMILES:CO[C@H]1CC[C@H](O[C@@H]2C[C@H](O[C@@]3(CC[C@](C)(O3)[C@H]3CC[C@@H](C)[C@@]4(O[C@H](C[C@@H]4C)[C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)O3)[C@@H]2C)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)O[C@@H]1C

A-130A is a polycyclic polyether compound belonging to the nigericin group of antibiotics generated by Streptomyces hygroscopicus strain.

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