4,5,6,46-Tetrahydroxy-19-(hydroxymethyl)-62-methyl-16-(methylamino)-12-oxo-35-phenylspiro[13,49-dioxaoctadecacyclo[45.15.2.234,42.247,50.15,45.18,15.152,56.158,61.03,46.06,28.09,28.010,14.018,23.038,43.041,50.043,48.030,69.038,71]doheptaconta-10,18(23),19,21,52,54,56(66)-heptaen-24,31-diyne-26,1'-cyclopentane]-45-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: 4,5,6,46-Tetrahydroxy-19-(hydroxymethyl)-62-methyl-16-(methylamino)-12-oxo-35-phenylspiro[13,49-dioxaoctadecacyclo[45.15.2.234,42.247,50.15,45.18,15.152,56.158,61.03,46.06,28.09,28.010,14.018,23.038,43.041,50.043,48.030,69.038,71]doheptaconta-10,18(23),19,21,52,54,56(66)-heptaen-24,31-diyne-26,1'-cyclopentane]-45-carbaldehyde
• 英文别名: 4,5,6,46-tetrahydroxy-19-(hydroxymethyl)-62-methyl-16-(methylamino)-12-oxo-35-phenylspiro[13,49-dioxaoctadecacyclo[45.15.2.234,42.247,50.15,45.18,15.152,56.158,61.03,46.06,28.09,28.010,14.018,23.038,43.041,50.043,48.030,69.038,71]doheptaconta-10,18(23),19,21,52,54,56(66)-heptaen-24,31-diyne-26,1'-cyclopentane]-45-carbaldehyde
• 化学式: C₈₄H₉₉NO₉
• 分子量: 1266.7
• InChiKey: TXVUZSWLVGCOAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  94
• 可旋转键数：
  4
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10