33,35,36,37-Tetrahydroxy-50-(hydroxymethyl)-28-methyl-47-(methylamino)-43-oxo-13,57-diphenyl-44,68-dioxa-21,22-dithiahexadecacyclo[47.11.3.219,32.11,58.124,27.129,34.139,46.03,37.03,40.06,36.07,33.09,17.010,15.041,45.053,63.09,67]nonahexaconta-41,49,51,53(63)-tetraen-55,61-diyne-7-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: 33,35,36,37-Tetrahydroxy-50-(hydroxymethyl)-28-methyl-47-(methylamino)-43-oxo-13,57-diphenyl-44,68-dioxa-21,22-dithiahexadecacyclo[47.11.3.219,32.11,58.124,27.129,34.139,46.03,37.03,40.06,36.07,33.09,17.010,15.041,45.053,63.09,67]nonahexaconta-41,49,51,53(63)-tetraen-55,61-diyne-7-carbaldehyde
• 英文别名: 33,35,36,37-tetrahydroxy-50-(hydroxymethyl)-28-methyl-47-(methylamino)-43-oxo-13,57-diphenyl-44,68-dioxa-21,22-dithiahexadecacyclo[47.11.3.219,32.11,58.124,27.129,34.139,46.03,37.03,40.06,36.07,33.09,17.010,15.041,45.053,63.09,67]nonahexaconta-41,49,51,53(63)-tetraen-55,61-diyne-7-carbaldehyde
• 化学式: C₈₁H₉₇NO₉S₂
• 分子量: 1292.8
• InChiKey: UXDVFZSPBKKQEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  93
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  216
• 氢给体数：
  6
• 氢受体数：
  12