2-[[[20,26-Bis(3,5-dichloro-4-hydroxyphenyl)-17-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-18,21,24,37-tetrahydroxy-28-methyl-27-oxo-2-oxa-13,19,22,25-tetrazahexacyclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3,5,7(37),8(36),9,11,14,18,21,24,31,34-tridecaen-29-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[[20,26-Bis(3,5-dichloro-4-hydroxyphenyl)-17-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-18,21,24,37-tetrahydroxy-28-methyl-27-oxo-2-oxa-13,19,22,25-tetrazahexacyclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3,5,7(37),8(36),9,11,14,18,21,24,31,34-tridecaen-29-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 英文别名: 2-[[[20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-18,21,24,37-tetrahydroxy-28-methyl-27-oxo-2-oxa-13,19,22,25-tetrazahexacyclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3,5,7(37),8(36),9,11,14,18,21,24,31,34-tridecaen-29-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 化学式: C₆₂H₄₆Cl₆N₆O₁₅
• 分子量: 1327.8
• InChiKey: DLTQGBPWXILSEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  89
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  357
• 氢给体数：
  12
• 氢受体数：
  19