7,51,54,55,68,76-Hexahydroxy-14,55-bis(hydroxymethyl)-57-methyl-68-[3-(3-methylbutan-2-yl)oxiran-2-yl]-32,61-dioxa-49,50-dithia-10,75-diazanonadecacyclo[58.8.2.252,59.15,9.110,13.112,23.116,47.124,36.158,64.02,60.02,64.012,21.013,47.014,19.024,43.026,35.028,33.036,41.052,57]octaheptaconta-5(78),6,8,17,19,27,29,42,59(72),65-decaen-44-yne-73,77-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: 7,51,54,55,68,76-Hexahydroxy-14,55-bis(hydroxymethyl)-57-methyl-68-[3-(3-methylbutan-2-yl)oxiran-2-yl]-32,61-dioxa-49,50-dithia-10,75-diazanonadecacyclo[58.8.2.252,59.15,9.110,13.112,23.116,47.124,36.158,64.02,60.02,64.012,21.013,47.014,19.024,43.026,35.028,33.036,41.052,57]octaheptaconta-5(78),6,8,17,19,27,29,42,59(72),65-decaen-44-yne-73,77-dione
• 英文别名: 7,51,54,55,68,76-hexahydroxy-14,55-bis(hydroxymethyl)-57-methyl-68-[3-(3-methylbutan-2-yl)oxiran-2-yl]-32,61-dioxa-49,50-dithia-10,75-diazanonadecacyclo[58.8.2.252,59.15,9.110,13.112,23.116,47.124,36.158,64.02,60.02,64.012,21.013,47.014,19.024,43.026,35.028,33.036,41.052,57]octaheptaconta-5(78),6,8,17,19,27,29,42,59(72),65-decaen-44-yne-73,77-dione
• 化学式: C₈₂H₁₀₀N₂O₁₃S₂
• 分子量: 1385.8
• InChiKey: BZDOCNWAPIJZQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  99
• 可旋转键数：
  5
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  293
• 氢给体数：
  9
• 氢受体数：
  16