2,5,6-Trihydroxy-19-(hydroxymethyl)-49-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,54-dioxa-42,43-dithiatridecacyclo[38.12.2.13,50.18,15.145,48.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,53]heptapentaconta-10,18(23),19,21-tetraen-24-yne-32-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: 2,5,6-Trihydroxy-19-(hydroxymethyl)-49-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,54-dioxa-42,43-dithiatridecacyclo[38.12.2.13,50.18,15.145,48.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,53]heptapentaconta-10,18(23),19,21-tetraen-24-yne-32-carbaldehyde
• 英文别名: 2,5,6-trihydroxy-19-(hydroxymethyl)-49-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,54-dioxa-42,43-dithiatridecacyclo[38.12.2.13,50.18,15.145,48.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,53]heptapentaconta-10,18(23),19,21-tetraen-24-yne-32-carbaldehyde
• 化学式: C₆₅H₈₃NO₈S₂
• 分子量: 1070.5
• InChiKey: FBIJFMVKYLVNBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  76
• 可旋转键数：
  6
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  196
• 氢给体数：
  5
• 氢受体数：
  11