Name: Glycothiohexide α
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT219599918
Cas No:158446-31-2
常用名:Glycothiohexide α
别名:糖硫己糖二酐 Α
IUPAC:2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9-hydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide
IUPAC:2-(30-{[5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-9-hydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,54-dioxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,55,56,57-decaazadecacyclo[26.16.6.2^{29,40}.1^{2,5}.1^{12,15}.1^{22,25}.1^{38,41}.1^{47,50}.0^{6,11}.0^{34,39}]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl)-1,3-thiazole-4-carboxamide
InChI key:SQNIUXZFYJCFRU-UHFFFAOYSA-N

分子式:C58H57N13O15S6
分子量:1368.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(C)=C1NC(=O)C(NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)C2CSC(=O)c3[nH]c4cccc5COC(=O)C(OC6CC(C)(O)C(C(C)O6)N(C)C)C(OCc3c45)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2)-c1nc(cs1)C(N)=O)C(C)O
SMILES:COC(C)=C1NC(=O)C(NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)C2CSC(=O)c3[nH]c4cccc5COC(=O)C(OC6CC(C)(O)C(C(C)O6)N(C)C)C(OCc3c45)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2)-c1nc(cs1)C(N)=O)C(C)O

Glycothiohexide α 是一种肽类抗生素，表现出对革兰氏阳性菌的显著活性，包括耐甲氧西林金黄色葡萄球菌 (MRSA) 和耐万古霉素肠球菌 (VREF)，其最低抑菌浓度 (MIC) 为 0.03-0.06 μg/mL。

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