Enfumafungin
HIT214983053
sdf文件结构编辑类似物检索
HIT ID: HIT214983053
Cas No: 260979-95-1
分子式: C38H60O12
分子量: 708.886
常用名: Enfumafungin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
IUPAC: (1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
SMILES: [H][C@@]1(O[C@H]2[C@@H](C[C@@]34C(O)OC[C@]2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)OC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: [H][C@@]1(O[C@H]2[C@@H](C[C@@]34C(O)OC[C@]2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)OC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: IAOFPTKYKOAKGZ-CRWQHXLTSA-N
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TargetMol
SC
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