Nanchangmycin
HIT218440227
sdf文件结构编辑类似物检索
HIT ID: HIT218440227
Cas No:
分子式: C47H77NaO14
分子量: 889.109
常用名: Nanchangmycin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium (2S,4R,6E,8S)-8-[(2S,5R,7R,8R,9S)-9-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-{[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoate
IUPAC: sodium (2S,4R,6E,8S)-8-[(2S,5R,7R,8R,9S)-9-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-{[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoate
SMILES: [Na+].[H][C@@]1(C[C@H](C)[C@]2(O1)O[C@]([H])(C[C@H](O[C@]1([H])CC[C@H](OC)[C@@H](C)O1)[C@H]2C)[C@]1(C)CC[C@]2(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)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
SMILES: [Na+].[H][C@@]1(C[C@H](C)[C@]2(O1)O[C@]([H])(C[C@H](O[C@]1([H])CC[C@H](OC)[C@@H](C)O1)[C@H]2C)[C@]1(C)CC[C@]2(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)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
InChI key: XMAIRYYXDCNFKP-SEDNIUBGSA-M
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