2-[33-(1-Cyclohexylethyl)-20,39,40-trihydroxy-28-(hydroxymethyl)-6-methoxycarbonyl-2,16,42,43-tetraoxa-25,26-dithia-32-azadecacyclo[21.16.2.11,18.119,30.03,8.04,12.018,23.019,36.020,39.031,35]tritetraconta-5,9,21,30,33,35-hexaen-7-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2-[33-(1-Cyclohexylethyl)-20,39,40-trihydroxy-28-(hydroxymethyl)-6-methoxycarbonyl-2,16,42,43-tetraoxa-25,26-dithia-32-azadecacyclo[21.16.2.11,18.119,30.03,8.04,12.018,23.019,36.020,39.031,35]tritetraconta-5,9,21,30,33,35-hexaen-7-yl]acetic acid
• 英文别名: 2-[33-(1-cyclohexylethyl)-20,39,40-trihydroxy-28-(hydroxymethyl)-6-methoxycarbonyl-2,16,42,43-tetraoxa-25,26-dithia-32-azadecacyclo[21.16.2.11,18.119,30.03,8.04,12.018,23.019,36.020,39.031,35]tritetraconta-5,9,21,30,33,35-hexaen-7-yl]acetic acid
• 化学式: C₄₉H₆₃NO₁₂S₂
• 分子量: 922.2
• InChiKey: KUIGGXHOVXZQHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  64
• 可旋转键数：
  7
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  244
• 氢给体数：
  6
• 氢受体数：
  15