2-[[[12-[[2-Amino-2-(3,5-dichloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino]-3-chloro-15,21-bis(3,5-dichloro-4-hydroxyphenyl)-13,16,19,36-tetrahydroxy-23-methyl-22-oxo-31-oxa-8,14,17,20,23-pentazahexacyclo[30.3.1.126,30.02,7.06,10.018,34]heptatriaconta-1(36),2,4,6,9,13,16,19,26(37),27,29,32,34-tridecaen-24-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-[[[12-[[2-Amino-2-(3,5-dichloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino]-3-chloro-15,21-bis(3,5-dichloro-4-hydroxyphenyl)-13,16,19,36-tetrahydroxy-23-methyl-22-oxo-31-oxa-8,14,17,20,23-pentazahexacyclo[30.3.1.126,30.02,7.06,10.018,34]heptatriaconta-1(36),2,4,6,9,13,16,19,26(37),27,29,32,34-tridecaen-24-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 英文别名: 2-[[[12-[[2-amino-2-(3,5-dichloro-4-hydroxyphenyl)-1-hydroxyethylidene]amino]-3-chloro-15,21-bis(3,5-dichloro-4-hydroxyphenyl)-13,16,19,36-tetrahydroxy-23-methyl-22-oxo-31-oxa-8,14,17,20,23-pentazahexacyclo[30.3.1.126,30.02,7.06,10.018,34]heptatriaconta-1(36),2,4,6,9,13,16,19,26(37),27,29,32,34-tridecaen-24-yl]-hydroxymethylidene]amino]-2-(4-hydroxyphenyl)acetic acid
• 化学式: C₆₁H₄₇Cl₇N₈O₁₄
• 分子量: 1364.2
• InChiKey: YLZGPGBPVOVKMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  90
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  355
• 氢给体数：
  13
• 氢受体数：
  15