1-[2-[Bis[2-[[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.23,6]octadecan-5-yl]methylcarbamothioylamino]ethyl]amino]ethyl]-3-[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]thiourea

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-[2-[Bis[2-[[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.23,6]octadecan-5-yl]methylcarbamothioylamino]ethyl]amino]ethyl]-3-[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]thiourea
• 英文别名: 1-[2-[bis[2-[[15,16,17,18-tetrahydroxy-14-(hydroxymethyl)-2,4,11,13-tetraoxatricyclo[10.2.2.23,6]octadecan-5-yl]methylcarbamothioylamino]ethyl]amino]ethyl]-3-[1,3-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]propan-2-yl]thiourea
• 化学式: C₆₃H₁₁₁N₇O₃₆S₃
• 分子量: 1638.8
• InChiKey: FYBQGJAIILYVCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.6
• 重原子数：
  109
• 可旋转键数：
  28
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  746
• 氢给体数：
  28
• 氢受体数：
  40