45-(1-Cyclopentylethyl)-1,2,41,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenylspiro[9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-22,1'-cyclopentane]-40-carbaldehyde

• 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: 45-(1-Cyclopentylethyl)-1,2,41,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenylspiro[9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-22,1'-cyclopentane]-40-carbaldehyde
• 英文别名: 45-(1-cyclopentylethyl)-1,2,41,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-31-phenylspiro[9-oxadodecacyclo[24.22.1.14,11.138,42.02,24.05,24.06,10.014,19.030,35.034,38.040,49.041,47]henpentaconta-6,14(19),15,17-tetraen-20,27-diyne-22,1'-cyclopentane]-40-carbaldehyde
• 化学式: C₇₀H₈₇NO₈
• 分子量: 1070.4
• InChiKey: UJSSRYBXRNEMNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  79
• 可旋转键数：
  6
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9