3-[[6-[[10-[6-[(2-Carboxyacetyl)oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-9-(4-hydroxyphenyl)-18-oxa-8-azapentacyclo[9.8.0.02,7.08,19.012,17]nonadeca-1(19),2,4,6,9,12,14,16-octaen-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

• 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: 3-[[6-[[10-[6-[(2-Carboxyacetyl)oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-9-(4-hydroxyphenyl)-18-oxa-8-azapentacyclo[9.8.0.02,7.08,19.012,17]nonadeca-1(19),2,4,6,9,12,14,16-octaen-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
• 英文别名: 3-[[6-[[10-[6-[(2-carboxyacetyl)oxymethyl]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-9-(4-hydroxyphenyl)-18-oxa-8-azapentacyclo[9.8.0.02,7.08,19.012,17]nonadeca-1(19),2,4,6,9,12,14,16-octaen-15-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
• 化学式: C₄₇H₄₉NO₂₆
• 分子量: 1043.9
• InChiKey: ACNVWEXHFGSSOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  74
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  419
• 氢给体数：
  13
• 氢受体数：
  26