2-[16-(1-Cyclohexylethyl)-5,22,23-trihydroxy-11-(hydroxymethyl)-37-methoxycarbonyl-3,27,41,42-tetraoxa-15-azadecacyclo[26.10.2.14,25.113,24.01,31.02,35.04,22.07,25.014,18.019,24]dotetraconta-13,16,18,33,37,39-hexaen-8-yn-36-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[16-(1-Cyclohexylethyl)-5,22,23-trihydroxy-11-(hydroxymethyl)-37-methoxycarbonyl-3,27,41,42-tetraoxa-15-azadecacyclo[26.10.2.14,25.113,24.01,31.02,35.04,22.07,25.014,18.019,24]dotetraconta-13,16,18,33,37,39-hexaen-8-yn-36-yl]acetic acid
• 英文别名: 2-[16-(1-cyclohexylethyl)-5,22,23-trihydroxy-11-(hydroxymethyl)-37-methoxycarbonyl-3,27,41,42-tetraoxa-15-azadecacyclo[26.10.2.14,25.113,24.01,31.02,35.04,22.07,25.014,18.019,24]dotetraconta-13,16,18,33,37,39-hexaen-8-yn-36-yl]acetic acid
• 化学式: C₅₀H₆₁NO₁₂
• 分子量: 868.0
• InChiKey: CITQBWBAWXWALF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  63
• 可旋转键数：
  7
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  194
• 氢给体数：
  6
• 氢受体数：
  13