6-Acetyl-4-[23,24-dihydroxy-27-(hydroxymethyl)-6-(3-hydroxypropyl)spiro[8,26,42-trioxa-17,18-diazadodecacyclo[20.19.1.11,38.12,20.16,10.112,19.135,38.012,16.022,27.031,35.05,45.019,47]heptatetraconta-2(45),4-dien-28-yne-14,2'-tetracyclo[11.2.1.01,5.09,13]hexadecane]-25-yl]oxy-5,8-dihydroxy-7-methylnaphthalene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 6-Acetyl-4-[23,24-dihydroxy-27-(hydroxymethyl)-6-(3-hydroxypropyl)spiro[8,26,42-trioxa-17,18-diazadodecacyclo[20.19.1.11,38.12,20.16,10.112,19.135,38.012,16.022,27.031,35.05,45.019,47]heptatetraconta-2(45),4-dien-28-yne-14,2'-tetracyclo[11.2.1.01,5.09,13]hexadecane]-25-yl]oxy-5,8-dihydroxy-7-methylnaphthalene-2-carboxylic acid
• 英文别名: 6-acetyl-4-[23,24-dihydroxy-27-(hydroxymethyl)-6-(3-hydroxypropyl)spiro[8,26,42-trioxa-17,18-diazadodecacyclo[20.19.1.11,38.12,20.16,10.112,19.135,38.012,16.022,27.031,35.05,45.019,47]heptatetraconta-2(45),4-dien-28-yne-14,2'-tetracyclo[11.2.1.01,5.09,13]hexadecane]-25-yl]oxy-5,8-dihydroxy-7-methylnaphthalene-2-carboxylic acid
• 化学式: C₇₅H₉₆N₂O₁₃
• 分子量: 1233.6
• InChiKey: RNHLDWQWENNEMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  90
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  237
• 氢给体数：
  9
• 氢受体数：
  15