2,5,6-Trihydroxy-19-(hydroxymethyl)-52-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,57-dioxatetradecacyclo[38.15.2.13,53.18,15.142,46.148,51.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,56]henhexaconta-10,18(23),19,21,42,44,46(60)-heptaen-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)-52-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,57-dioxatetradecacyclo[38.15.2.13,53.18,15.142,46.148,51.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,56]henhexaconta-10,18(23),19,21,42,44,46(60)-heptaen-24-yne-32-carbaldehyde
• 英文别名: 2,5,6-trihydroxy-19-(hydroxymethyl)-52-methyl-16-(methylamino)-12-oxo-36-(2-phenylethyl)-13,57-dioxatetradecacyclo[38.15.2.13,53.18,15.142,46.148,51.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,56]henhexaconta-10,18(23),19,21,42,44,46(60)-heptaen-24-yne-32-carbaldehyde
• 化学式: C₇₁H₈₇NO₈
• 分子量: 1082.4
• InChiKey: JUOVFEPBOGXEIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  80
• 可旋转键数：
  6
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9