[(4S,6S)-6-[(2R,3S,4R,6R)-6-[(2R,3S,5S,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3'aS,7'R,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-(hydroxymethyl)-6-methyloxan-4-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-6-ethoxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(4S,6S)-6-[(2R,3S,4R,6R)-6-[(2R,3S,5S,6S)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3'aS,7'R,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-(hydroxymethyl)-6-methyloxan-4-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-6-ethoxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
• 化学式: C71H101Cl2NO38
• 分子量: 1647.4
• InChiKey: BXTASKKWGPDACK-ILQODKDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  112
• 可旋转键数：
  26
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  493
• 氢给体数：
  9
• 氢受体数：
  38