1-[6-[6-[6-[2-[2-[7-(6-Amino-19-chlorononadeca-1,3,8,10,18-pentaen-12,16-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]-2-hydroxyethyl]-3,8-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4,5-trihydroxyoxan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-13,15-diyne-2,4,6,7,8,9,10-heptol

• 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-[2-[2-[7-(6-Amino-19-chlorononadeca-1,3,8,10,18-pentaen-12,16-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]-2-hydroxyethyl]-3,8-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4,5-trihydroxyoxan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-13,15-diyne-2,4,6,7,8,9,10-heptol
• 英文别名: 1-[6-[6-[6-[2-[2-[7-(6-amino-19-chlorononadeca-1,3,8,10,18-pentaen-12,16-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]-2-hydroxyethyl]-3,8-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4-dihydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3,4,5-trihydroxyoxan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-13,15-diyne-2,4,6,7,8,9,10-heptol
• 化学式: C₉₁H₁₃₂ClNO₃₄
• 分子量: 1819.5
• InChiKey: SRLZRRUFUCRMFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  127
• 可旋转键数：
  30
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  560
• 氢给体数：
  21
• 氢受体数：
  35