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b-D-吡喃葡萄糖苷,(3b,16b,20S)-16-羟基-20-[(2S,5R)-5-羟基-1,5-二甲基-2-哌啶基]孕-5-烯-3-基(9CI) | 131984-90-2

b-D-吡喃葡萄糖苷,(3b,16b,20S)-16-羟基-20-[(2S,5R)-5-羟基-1,5-二甲基-2-哌啶基]孕-5-烯-3-基(9CI)结构式图片|131984-90-2结构式图片
b-D-吡喃葡萄糖苷,(3b,16b,20S)-16-羟基-20-[(2S,5R)-5-羟基-1,5-二甲基-2-哌啶基]孕-5-烯-3-基(9CI)
b-D-Glucopyranoside, (3b,16b,20S)-16-hydroxy-20-[(2S,5R)-5-hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-en-3-yl(9CI)
131984-90-2
C34H57NO8
607.81828
131458
名称和标识符
InChIKey CXACCEOTKMZDPQ-UHFFFAOYSA-N
Inchi InChI=1S/C34H57NO8/c1-18(24-10-11-32(2,41)17-35(24)5)27-25(37)15-23-21-7-6-19-14-20(8-12-33(19,3)22(21)9-13-34(23,27)4)42-31-30(40)29(39)28(38)26(16-36)43-31/h6,18,20-31,36-41H,7-17H2,1-5H3
SMILES OCC1OC(OC2CCC3(C4CCC5(C(C(CC5C4CC=C3C2)O)C(C2CCC(C)(O)CN2C)C)C)C)C(O)C(O)C1O
别名信息
- 中文别名 -
- 英文别名 -
  • b-D-Glucopyranoside, (3b,16b,20S)-16-hydroxy-20-[(2S,5R)-5-hydroxy-1,5-dimethyl-2-piperidinyl]pregn-5-en-3-yl(9CI)
  • b-D-Glucopyranoside, (3b,16b,20S)-16-hydroxy-20-[(2S,5R)-5-hydroxy-1,5-dimethyl-2-piperidinyl]...
  • pingbeininoside
  • (9xi,16alpha,17beta)-16-hydroxy-17-{(1S)-1-[(2R)-5-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl}androst-5-en-3-yl beta-D-glucopyranoside
  • beta-D-Glucopyranoside, (3beta,16beta,25beta)-16,25-dihydroxy-28-methyl-16,28-secosolanid-5-en-3-yl
  • 16-Hydroxy-20-(5-hydroxy-1,5-dimethylpiperidin-2-yl)pregn-5-en-3-yl hexopyranoside
  • 16-Hydroxy-20-(5-hydroxy-1,5-dimethylpiperidin-2-yl)pregn-5-en-3-yl hexopyranoside
  • (2R,3R,4S,5S,6R)-2-[[(8S,10R,13S,14S,16R,17R)-16-hydroxy-17-[(1S)-1-[(2R)-5-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2R,3R,4S,5S,6R)-2-[[(8S,10R,13S,14S,16R,17R)-16-hydroxy-17-[(1S)-1-[(2R)-5-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (-)-Pingbeininoside
  • (-)-Pingbeininoside
  • 131984-90-2
  • 131984-90-2
  • Pingbeininoside
  • Pingbeininoside
  • DTXSID80927488
  • DTXSID80927488
物化性质
实验特性
PSA 143.08
折射率 1.603
沸点 739.5°Cat760mmHg
闪点 401°C
密度 1.27
计算特性
精确分子量 607.40861
氢键供体数量 6
氢键受体数量 9
可旋转化学键数量 5
同位素质量 607.408418
重原子数量 43
复杂度 1060
同位素原子数量 0
确定原子立构中心数量 13
不确定原子立构中心数量 3
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.8
拓扑分子极性表面积 143
专业数据库参考
PubChemId 131458
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