4-[57-[3-[6-[[8,17-Dihydroxy-19-[5-(3-hydroxybutan-2-yl)-2,5-dihydrofuran-2-yl]-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-7-yl]-hydroxymethyl]-3,4-dihydroxyoxan-2-yl]-1,2,3-trihydroxypropyl]-10,41,45,58,63-pentahydroxy-3,5,11,15,17,27,39,42,44,49,62-undecamethyl-4,8,12,16,21,26,30,34,38,43,48,52,56,61,66,71,75-heptadecaoxaheptadecacyclo[37.36.0.03,37.05,35.07,33.09,31.011,29.013,27.015,25.017,22.042,74.044,72.047,70.049,67.051,65.053,62.055,60]pentaheptacont-18-en-20-yl]-2-(hydroxymethyl)but-2-enal

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[57-[3-[6-[[8,17-Dihydroxy-19-[5-(3-hydroxybutan-2-yl)-2,5-dihydrofuran-2-yl]-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-7-yl]-hydroxymethyl]-3,4-dihydroxyoxan-2-yl]-1,2,3-trihydroxypropyl]-10,41,45,58,63-pentahydroxy-3,5,11,15,17,27,39,42,44,49,62-undecamethyl-4,8,12,16,21,26,30,34,38,43,48,52,56,61,66,71,75-heptadecaoxaheptadecacyclo[37.36.0.03,37.05,35.07,33.09,31.011,29.013,27.015,25.017,22.042,74.044,72.047,70.049,67.051,65.053,62.055,60]pentaheptacont-18-en-20-yl]-2-(hydroxymethyl)but-2-enal
• 英文别名: 4-[57-[3-[6-[[8,17-dihydroxy-19-[5-(3-hydroxybutan-2-yl)-2,5-dihydrofuran-2-yl]-2,6,11,15,20-pentaoxapentacyclo[12.8.0.03,12.05,10.016,21]docosan-7-yl]-hydroxymethyl]-3,4-dihydroxyoxan-2-yl]-1,2,3-trihydroxypropyl]-10,41,45,58,63-pentahydroxy-3,5,11,15,17,27,39,42,44,49,62-undecamethyl-4,8,12,16,21,26,30,34,38,43,48,52,56,61,66,71,75-heptadecaoxaheptadecacyclo[37.36.0.03,37.05,35.07,33.09,31.011,29.013,27.015,25.017,22.042,74.044,72.047,70.049,67.051,65.053,62.055,60]pentaheptacont-18-en-20-yl]-2-(hydroxymethyl)but-2-enal
• 化学式: C₁₀₈H₁₆₂O₄₀
• 分子量: 2100.4
• InChiKey: NWRFIOOSKDIGFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  148
• 可旋转键数：
  13
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  542
• 氢给体数：
  15
• 氢受体数：
  40