3,4,5,15',20,24,30,45-Octahydroxy-37-(hydroxymethyl)-13-methyl-20-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[43,44-dithia-33-azaundecacyclo[22.21.3.128,32.133,36.01,13.04,12.08,12.014,48.016,25.021,25.036,41]pentaconta-6,17,28(50),29,31,47-hexaene-35,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-46,49-dione

• 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: 3,4,5,15',20,24,30,45-Octahydroxy-37-(hydroxymethyl)-13-methyl-20-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[43,44-dithia-33-azaundecacyclo[22.21.3.128,32.133,36.01,13.04,12.08,12.014,48.016,25.021,25.036,41]pentaconta-6,17,28(50),29,31,47-hexaene-35,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-46,49-dione
• 英文别名: 3,4,5,15',20,24,30,45-octahydroxy-37-(hydroxymethyl)-13-methyl-20-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[43,44-dithia-33-azaundecacyclo[22.21.3.128,32.133,36.01,13.04,12.08,12.014,48.016,25.021,25.036,41]pentaconta-6,17,28(50),29,31,47-hexaene-35,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-46,49-dione
• 化学式: C₇₉H₁₀₂N₂O₁₃S₂
• 分子量: 1351.8
• InChiKey: ARGNOISWHQECLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  96
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16