29-(Diaminomethylideneamino)-23-ethyl-13-hydroxy-29-[4-hydroxy-2-(hydroxymethyl)butyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.224,27.13,18.15,17.02,20.011,16]octatriaconta-1(32),11(16),12,14,18,24(36),25,27(35),30,33-decaen-9-yne-21-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: 29-(Diaminomethylideneamino)-23-ethyl-13-hydroxy-29-[4-hydroxy-2-(hydroxymethyl)butyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.224,27.13,18.15,17.02,20.011,16]octatriaconta-1(32),11(16),12,14,18,24(36),25,27(35),30,33-decaen-9-yne-21-sulfonic acid
• 英文别名: 29-(diaminomethylideneamino)-23-ethyl-13-hydroxy-29-[4-hydroxy-2-(hydroxymethyl)butyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.224,27.13,18.15,17.02,20.011,16]octatriaconta-1(32),11(16),12,14,18,24(36),25,27(35),30,33-decaen-9-yne-21-sulfonic acid
• 化学式: C₄₅H₅₅N₃O₉S
• 分子量: 814.0
• InChiKey: HADPHJJKTHUEGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  227
• 氢给体数：
  7
• 氢受体数：
  10