Name: Endusamycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600141
Cas No:100242-41-9
常用名:Endusamycin
IUPAC:(2S,4R,6E,8S)-8-[(2S,3R,5S,7R,8R,9S)-9-hydroxy-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]-3-{[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-2,8-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,3R,5S,7R,8R,9S)-9-hydroxy-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]-3-{[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
InChI key:IXZQKHXEQYZXTP-RATZTJMHSA-N

分子式:C47H78O14
分子量:867.127
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(C[C@H](C)[C@]2(O1)O[C@]([H])(CC[C@H]2C)[C@@]1(C)O[C@]2(C[C@H]1O[C@H]1CC[C@H](OC)[C@@H](C)O1)C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
SMILES:[H][C@@]1(C[C@H](C)[C@]2(O1)O[C@]([H])(CC[C@H]2C)[C@@]1(C)O[C@]2(C[C@H]1O[C@H]1CC[C@H](OC)[C@@H](C)O1)C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)\C=C(/C)C(=O)[C@H](C)C[C@H](C)C(O)=O)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C

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