(1S,4E,8E,12Z)-14-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a3)-6-deoxy-I+/--L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside | 121961-80-6

• 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: (1S,4E,8E,12Z)-14-[(O-6-Deoxy-I+/--L-mannopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a3)-6-deoxy-I+/--L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside
• 英文别名: 2-[[6-[2-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• CAS: 121961-80-6
• 化学式: C₅₀H₈₄O₂₅
• 分子量: 1085.2
• InChiKey: NFBYZSYLZUMCFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  75
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  396
• 氢给体数：
  15
• 氢受体数：
  25