[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-5a,5b,8,8,11a-pentamethyl-9,12-dioxo-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,10,11,11b,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylate

• 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: [6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-5a,5b,8,8,11a-pentamethyl-9,12-dioxo-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,10,11,11b,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylate
• 英文别名: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-5a,5b,8,8,11a-pentamethyl-9,12-dioxo-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,10,11,11b,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylate
• 化学式: C₄₈H₇₄O₁₉
• 分子量: 955.1
• InChiKey: JCIBEESMXZZJQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  67
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  309
• 氢给体数：
  10
• 氢受体数：
  19