30-Benzyl-44-cyclopentyl-1,2,37,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxadodecacyclo[24.22.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,49.037,47.040,45]dopentaconta-6,14(19),15,17,41-pentaen-20,27-diyne-36-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: 30-Benzyl-44-cyclopentyl-1,2,37,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxadodecacyclo[24.22.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,49.037,47.040,45]dopentaconta-6,14(19),15,17,41-pentaen-20,27-diyne-36-carbaldehyde
• 英文别名: 30-benzyl-44-cyclopentyl-1,2,37,50-tetrahydroxy-15-(hydroxymethyl)-12-(methylamino)-8-oxo-9-oxadodecacyclo[24.22.1.14,11.131,34.134,38.02,24.05,24.06,10.014,19.036,49.037,47.040,45]dopentaconta-6,14(19),15,17,41-pentaen-20,27-diyne-36-carbaldehyde
• 化学式: C₆₆H₇₉NO₈
• 分子量: 1014.3
• InChiKey: DHYLYHLPZITCMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  75
• 可旋转键数：
  6
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9