55,60,61,63-Tetrahydroxy-42-(hydroxymethyl)-2-methyl-45-(methylamino)-49-oxo-48,72-dioxa-8,9-dithiaoctadecacyclo[60.8.1.13,6.111,67.115,19.120,24.126,30.132,35.135,56.146,53.013,66.016,66.038,43.047,51.052,56.055,60.059,64.063,68]nonaheptaconta-20,22,24(77),26(76),27,29,38(43),39,41,50-decaen-36-yne-64-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: 55,60,61,63-Tetrahydroxy-42-(hydroxymethyl)-2-methyl-45-(methylamino)-49-oxo-48,72-dioxa-8,9-dithiaoctadecacyclo[60.8.1.13,6.111,67.115,19.120,24.126,30.132,35.135,56.146,53.013,66.016,66.038,43.047,51.052,56.055,60.059,64.063,68]nonaheptaconta-20,22,24(77),26(76),27,29,38(43),39,41,50-decaen-36-yne-64-carbaldehyde
• 化学式: C₇₉H₉₇NO₉S₂
• 分子量: 1268.7
• InChiKey: QOFOQNVHUQKFNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  91
• 可旋转键数：
  3
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  216
• 氢给体数：
  6
• 氢受体数：
  12