1-[6-[6-[6-[6-[2-[7-(6-amino-20-chloroicosa-1,3,8,10,19-pentaen-13,17-diynyl)-22-hydroxy-2,6,11,15,20-pentaoxapentacyclo[12.9.0.03,12.05,10.016,21]tricosan-19-yl]-3-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-3,8-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-8-chloro-3-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4-dihydroxy-6-methyl-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-3,4,5-trihydroxyoxan-2-yl]-11-chloro-8-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyhexadeca-13,15-diyne-2,6,7,9,10-pentol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-[6-[6-[6-[6-[2-[7-(6-amino-20-chloroicosa-1,3,8,10,19-pentaen-13,17-diynyl)-22-hydroxy-2,6,11,15,20-pentaoxapentacyclo[12.9.0.03,12.05,10.016,21]tricosan-19-yl]-3-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-3,8-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-8-chloro-3-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4-dihydroxy-6-methyl-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-3,4,5-trihydroxyoxan-2-yl]-11-chloro-8-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyhexadeca-13,15-diyne-2,6,7,9,10-pentol
• 化学式: C₁₀₉H₁₅₈Cl₃NO₄₄
• 分子量: 2292.8
• InChiKey: ILGDRSGBHRLHQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  157
• 可旋转键数：
  36
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  696
• 氢给体数：
  25
• 氢受体数：
  45