2-[34'-(Diaminomethylideneamino)-7'-(3,4-dihydronaphthalen-2-yl)-26',29',30',47',49'-pentahydroxy-15'-(hydroxymethyl)-9',20'-dimethyl-22',50'-dioxospiro[cyclopentane-1,25'-tetradecacyclo[36.10.1.19,18.01,14.02,23.02,37.07,47.08,20.021,48.028,37.029,34.030,40.039,43.045,49]pentaconta-21(48),35,39(43),40,45-pentaen-4,11,16-triyne]-31'-ylidene]propanoic 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: 2-[34'-(Diaminomethylideneamino)-7'-(3,4-dihydronaphthalen-2-yl)-26',29',30',47',49'-pentahydroxy-15'-(hydroxymethyl)-9',20'-dimethyl-22',50'-dioxospiro[cyclopentane-1,25'-tetradecacyclo[36.10.1.19,18.01,14.02,23.02,37.07,47.08,20.021,48.028,37.029,34.030,40.039,43.045,49]pentaconta-21(48),35,39(43),40,45-pentaen-4,11,16-triyne]-31'-ylidene]propanoic acid
• 英文别名: 2-[34'-(diaminomethylideneamino)-7'-(3,4-dihydronaphthalen-2-yl)-26',29',30',47',49'-pentahydroxy-15'-(hydroxymethyl)-9',20'-dimethyl-22',50'-dioxospiro[cyclopentane-1,25'-tetradecacyclo[36.10.1.19,18.01,14.02,23.02,37.07,47.08,20.021,48.028,37.029,34.030,40.039,43.045,49]pentaconta-21(48),35,39(43),40,45-pentaen-4,11,16-triyne]-31'-ylidene]propanoic acid
• 化学式: C₇₁H₇₃N₃O₁₀
• 分子量: 1128.3
• InChiKey: KQVHQSHGFCEDPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  84
• 可旋转键数：
  4
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  257
• 氢给体数：
  9
• 氢受体数：
  11