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b-D-Glucopyranoside,2-(4-hydroxyphenyl)ethyl O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-a-L-mannopyranosyl-(1®6)- | 122279-91-8

b-D-Glucopyranoside,2-(4-hydroxyphenyl)ethyl O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-a-L-mannopyranosyl-(1®6)-结构式图片|122279-91-8结构式图片
b-D-Glucopyranoside,2-(4-hydroxyphenyl)ethyl O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-a-L-mannopyranosyl-(1®6)-
122279-91-8
C36H48O18
768.755520000001
6450081
名称和标识符
InChIKey URSRDDAXMAGFTC-KXXDLYTDSA-N
Inchi InChI=1S/C36H48O18/c1-17-32(53-25(39)11-7-19-6-10-22(46-2)23(14-19)47-3)33(54-35-29(43)26(40)21(38)15-49-35)31(45)36(51-17)50-16-24-27(41)28(42)30(44)34(52-24)48-13-12-18-4-8-20(37)9-5-18/h4-11,14,17,21,24,26-38,40-45H,12-13,15-16H2,1-3H3/b11-7+/t17-,21+,24+,26-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+/m0/s1
SMILES COC1C=CC(/C=C/C(O[C@H]2[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OCCC4C=CC(O)=CC=4)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=O)=CC=1OC
别名信息
- 中文别名 -
- 英文别名 -
  • [(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxy
  • 4-dimethylcaffeoylmussatioside
  • b-D-Glucopyranoside,2-(4-hydroxyphenyl)ethyl O-b-D-xylopyranosyl-(1&reg
  • 2-(4-hydroxyphenyl)ethyl beta-D-xylopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranoside
  • 3)-O-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-a-L-mannopyranosyl-(1&reg
  • beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-4-O-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-alpha-L-mannopyranosyl-(1-6)-
  • MeCM
  • 4-Dimethylcaffeoylmussatioside
  • 122279-91-8
  • [(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
物化性质
实验特性
PSA 261.98
计算特性
精确分子量 768.28404
氢键供体数量 8
氢键受体数量 18
可旋转化学键数量 15
同位素质量 768.28406468g/mol
重原子数量 54
复杂度 1170
同位素原子数量 0
确定原子立构中心数量 14
不确定原子立构中心数量 0
确定化学键立构中心数量 1
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) -1
拓扑分子极性表面积 262Ų
专业数据库参考
PubChemId 6450081
b-D-Glucopyranoside,2-(4-hydroxyphenyl)ethyl O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-4-O-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-a-L-mannopyranosyl-(1®6)-推荐生产厂家
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