2-[[[21,27-Bis(3,5-dichloro-4-hydroxyphenyl)-18-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-19,22,25,37-tetrahydroxy-29-methyl-28-oxo-2-oxa-14,20,23,26,29-pentazahexacyclo[30.2.2.13,7.05,24.08,13.012,16]heptatriaconta-1(34),3,5,7(37),8,10,12,15,19,22,25,32,35-tridecaen-30-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-[[[21,27-Bis(3,5-dichloro-4-hydroxyphenyl)-18-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-19,22,25,37-tetrahydroxy-29-methyl-28-oxo-2-oxa-14,20,23,26,29-pentazahexacyclo[30.2.2.13,7.05,24.08,13.012,16]heptatriaconta-1(34),3,5,7(37),8,10,12,15,19,22,25,32,35-tridecaen-30-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 英文别名: 2-[[[21,27-bis(3,5-dichloro-4-hydroxyphenyl)-18-[[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetyl]amino]-19,22,25,37-tetrahydroxy-29-methyl-28-oxo-2-oxa-14,20,23,26,29-pentazahexacyclo[30.2.2.13,7.05,24.08,13.012,16]heptatriaconta-1(34),3,5,7(37),8,10,12,15,19,22,25,32,35-tridecaen-30-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 化学式: C₆₁H₄₅Cl₆N₇O₁₅
• 分子量: 1328.8
• InChiKey: FRRCHJPQSWYJSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  89
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  360
• 氢给体数：
  12
• 氢受体数：
  19