CAS号：

179729-59-0

分子式：

C62H115NO24

分子量：

1258.5688

中文名称：

(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基

英文名称：

(2R)-5-hydroxy-1,2-dimethyl-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R, 17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-pentadecahydroxy-2,4,6,10,12,14,18,20-octamethyl -32-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]ox an-2-yl]dotriacont-2-enoyl]-2H-pyrrol-3-one

中文别名：

(2R)-5-羟基-1,2-二甲基-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R,17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-十五羟基-2,4,6,10,12,14,18,20-八甲基 -32-[(2R,3R,4S,5S,6S)-3,4,5,6-四羟基

英文别名：

(2R)-5-hydroxy-1,2-dimethyl-4-[(E,4S,6R,8S,9S,10S,11R,12R,13R,14S,15R, 17S,18S,19R,20S,21R,23R,25S,27S,28R,29S,30S,31R)-8,9,11,13,15,17,19,21 ,23,25,27,28,29,30,31-pentadecahydroxy-2,4,6,10,12,14,18,20-octamethyl -32-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxyundecyl]ox an-2-yl]dotriacont-2-enoyl]-2H-pyrrol-3-one

计算化学数据

1.疏水参数计算参考值（XlogP）:2.3

2.氢键供体数量:21

3.氢键受体数量:24

4.可旋转化学键数量:41

5.互变异构体数量:19

6.拓扑分子极性表面积:471

7.重原子数量:87

8.表面电荷:0

9.复杂度:2070

10.同位素原子数量:0

11.确定原子立构中心数量:29

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:1