15',19,23,29,44,50-Hexahydroxy-36,50-bis(hydroxymethyl)-12-methyl-19-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[4-oxa-42,43-dithia-32-azaundecacyclo[21.21.3.13,11.127,31.132,35.01,12.07,11.013,47.015,24.020,24.035,40]pentaconta-16,27(49),28,30,46-pentaene-34,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-45,48-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: 15',19,23,29,44,50-Hexahydroxy-36,50-bis(hydroxymethyl)-12-methyl-19-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[4-oxa-42,43-dithia-32-azaundecacyclo[21.21.3.13,11.127,31.132,35.01,12.07,11.013,47.015,24.020,24.035,40]pentaconta-16,27(49),28,30,46-pentaene-34,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-45,48-dione
• 英文别名: 15',19,23,29,44,50-hexahydroxy-36,50-bis(hydroxymethyl)-12-methyl-19-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[4-oxa-42,43-dithia-32-azaundecacyclo[21.21.3.13,11.127,31.132,35.01,12.07,11.013,47.015,24.020,24.035,40]pentaconta-16,27(49),28,30,46-pentaene-34,16'-5-oxa-25-azahexacyclo[11.11.1.11,22.02,11.04,9.014,18]hexacosa-7,9-dien-19-yne]-45,48-dione
• 化学式: C₇₉H₁₀₄N₂O₁₃S₂
• 分子量: 1353.8
• InChiKey: NHBJUEDBVXDVRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  96
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  293
• 氢给体数：
  9
• 氢受体数：
  16