2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-56-methyl-16-(methylamino)-12-oxo-38-phenylspiro[13,61-dioxapentadecacyclo[42.15.2.13,57.18,15.146,50.152,55.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,60.035,40]pentahexaconta-10,18(23),19,21,46,48,50(64)-heptaen-24-yne-26,1'-cyclopentane]-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: 2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-56-methyl-16-(methylamino)-12-oxo-38-phenylspiro[13,61-dioxapentadecacyclo[42.15.2.13,57.18,15.146,50.152,55.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,60.035,40]pentahexaconta-10,18(23),19,21,46,48,50(64)-heptaen-24-yne-26,1'-cyclopentane]-32-carbaldehyde
• 英文别名: 2,4,5,6-tetrahydroxy-19-(hydroxymethyl)-56-methyl-16-(methylamino)-12-oxo-38-phenylspiro[13,61-dioxapentadecacyclo[42.15.2.13,57.18,15.146,50.152,55.02,32.05,31.06,28.09,28.010,14.018,23.034,42.034,60.035,40]pentahexaconta-10,18(23),19,21,46,48,50(64)-heptaen-24-yne-26,1'-cyclopentane]-32-carbaldehyde
• 化学式: C₇₇H₉₅NO₉
• 分子量: 1178.6
• InChiKey: POEQFEWQDZZBSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  87
• 可旋转键数：
  4
• 环数：
  18.0
• 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