(4S)-4r-((R)-2-acetyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl)-6t-(tetra-O-acetyl-β-D-glucopyranosyloxy)-5c-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester | 20824-30-0

• 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: (4S)-4r-((R)-2-acetyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl)-6t-(tetra-O-acetyl-β-D-glucopyranosyloxy)-5c-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester
• 英文别名: (4S)-4r-((S)-2-acetyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl)-6t-(tetra-O-acetyl-β-D-glucopyranosyloxy)-5c-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester；(4S)-4r-((R)-2-acetyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl)-6t-(tetra-O-acetyl-β-D-glucopyranosyloxy)-5c-vinyl-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester；N⁴,O^{2'_,O3'_,O4'_,O6'}-pentaacetyl-vincoside
• CAS: 20824-30-0；22621-93-8
• 化学式: C₃₇H₄₄N₂O₁₄
• 分子量: 740.761
• InChiKey: LHZAMHOWWFVJQT-CFOJBFMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  53.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  195.29
• 氢给体数：
  1.0
• 氢受体数：
  14.0