Name: Coumermycin sodium
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT219159215
Cas No:4575-42-2
常用名:Coumermycin sodium
别名:Sodium coumermycin A1, Coumermycin sodium, Coumermycin A1, sodium deriv
别名:Sodium coumermycin A1, Coumermycin sodium, Coumermycin A1, sodium deriv
IUPAC:sodium 7-{[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyloxy)oxan-2-yl]oxy}-3-{4-[(4-hydroxy-7-{[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyloxy)oxan-2-yl]oxy}-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl]-3-methyl-1H-pyrrole-2-amido}-8-methyl-2-oxo-2H-chromen-4-olate
IUPAC:sodium 7-{[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyloxy)oxan-2-yl]oxy}-3-{4-[(4-hydroxy-7-{[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyloxy)oxan-2-yl]oxy}-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl]-3-methyl-1H-pyrrole-2-amido}-8-methyl-2-oxo-2H-chromen-4-olate
InChI key:WTUXHNVTMYDUAM-DHHSFAMCSA-M

分子式:C55H58N5NaO20
分子量:1132.074
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c([O-])c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
SMILES:[Na+].CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c([O-])c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C

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