2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-54-methyl-16-(methylamino)-12-oxo-37-(2-phenylethyl)-13,59-dioxapentadecacyclo[40.15.2.13,55.18,15.144,48.150,53.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,58.035,41]trihexaconta-10,18(23),19,21,44,46,48(62)-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: 2,4,5,6-Tetrahydroxy-19-(hydroxymethyl)-54-methyl-16-(methylamino)-12-oxo-37-(2-phenylethyl)-13,59-dioxapentadecacyclo[40.15.2.13,55.18,15.144,48.150,53.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,58.035,41]trihexaconta-10,18(23),19,21,44,46,48(62)-heptaen-24-yne-32-carbaldehyde
• 英文别名: 2,4,5,6-tetrahydroxy-19-(hydroxymethyl)-54-methyl-16-(methylamino)-12-oxo-37-(2-phenylethyl)-13,59-dioxapentadecacyclo[40.15.2.13,55.18,15.144,48.150,53.02,32.05,31.06,28.09,28.010,14.018,23.034,38.034,58.035,41]trihexaconta-10,18(23),19,21,44,46,48(62)-heptaen-24-yne-32-carbaldehyde
• 化学式: C₇₃H₈₉NO₉
• 分子量: 1124.5
• InChiKey: CWEWPMLGJIRSFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  83
• 可旋转键数：
  6
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10