3-[38-(Diaminomethylideneamino)-17,27,39-trihydroxy-14,14,28-trimethyl-13,31-dioxo-16-(2-phenylethenyl)-36-azaundecacyclo[22.14.1.12,35.03,26.04,28.04,32.010,15.010,30.017,29.019,27.021,25]tetraconta-18,21(25),23,29-tetraen-39-yl]-3-hydroxy-2-methylprop-2-enoic acid

• 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-[38-(Diaminomethylideneamino)-17,27,39-trihydroxy-14,14,28-trimethyl-13,31-dioxo-16-(2-phenylethenyl)-36-azaundecacyclo[22.14.1.12,35.03,26.04,28.04,32.010,15.010,30.017,29.019,27.021,25]tetraconta-18,21(25),23,29-tetraen-39-yl]-3-hydroxy-2-methylprop-2-enoic acid
• 英文别名: 3-[38-(diaminomethylideneamino)-17,27,39-trihydroxy-14,14,28-trimethyl-13,31-dioxo-16-(2-phenylethenyl)-36-azaundecacyclo[22.14.1.12,35.03,26.04,28.04,32.010,15.010,30.017,29.019,27.021,25]tetraconta-18,21(25),23,29-tetraen-39-yl]-3-hydroxy-2-methylprop-2-enoic acid
• 化学式: C₅₅H₆₆N₄O₈
• 分子量: 911.1
• InChiKey: HTNZFCSPVPXNBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  67
• 可旋转键数：
  5
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  229
• 氢给体数：
  8
• 氢受体数：
  10