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樱花苷 | 529-39-5

樱花苷结构式图片|529-39-5结构式图片
樱花苷
4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-,(2S)-
529-39-5
C22H24O10
448.41996
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:樱花苷结构式
73607
名称和标识符
InChIKey NEPMMBQHELYZIW-YMTXFHFDSA-N
Inchi InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1
SMILES COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
别名信息
- 中文别名 -
  • 樱花苷
  • ?花苷
  • 櫻花苷
- 英文别名 -
  • 4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-,(2S)-
  • SAKURANIN (TETRAHYDRATE)
  • (S)-5-(beta-D-Glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 5-(.beta.-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-
  • 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (S)-
  • SAKURANIN
  • SAKURANIN
  • SAKURANIN
  • 59YX7QWM4S
  • 59YX7QWM4S
  • 59YX7QWM4S
  • CHEBI:81054
  • CHEBI:81054
  • CHEBI:81054
  • Q3388148
  • Q3388148
  • Q3388148
  • NSC407308
  • NSC407308
  • NSC407308
  • DTXSID20967363
  • DTXSID20967363
  • DTXSID20967363
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside
  • (S)-5-beta-D-glucopyranosyloxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one
  • (S)-5-beta-D-glucopyranosyloxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one
  • (S)-5-beta-D-glucopyranosyloxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one
  • C17391
  • C17391
  • C17391
  • UNII-59YX7QWM4S
  • UNII-59YX7QWM4S
  • UNII-59YX7QWM4S
  • NSC 407308
  • NSC 407308
  • NSC 407308
  • NSC-407308
  • NSC-407308
  • NSC-407308
  • SAKURANETIN, 5-.BETA.-D-GLUCOPYRANOSIDE
  • SAKURANETIN, 5-.BETA.-D-GLUCOPYRANOSIDE
  • SAKURANETIN, 5-.BETA.-D-GLUCOPYRANOSIDE
  • CHEMBL495847
  • CHEMBL495847
  • CHEMBL495847
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
  • 529-39-5
  • (2S)-2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
  • 529-39-5
  • (2S)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
  • 529-39-5
  • (2S)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
  • 4H-1-BENZOPYRAN-4-ONE, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-, (S)-
  • (2S)-5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
  • 4H-1-BENZOPYRAN-4-ONE, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-, (S)-
  • (S)-2-(4-hydroxyphenyl)-7-methoxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one
  • 4H-1-BENZOPYRAN-4-ONE, 5-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-7-METHOXY-, (S)-
  • (S)-2-(4-hydroxyphenyl)-7-methoxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one
  • (S)-2-(4-hydroxyphenyl)-7-methoxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one
  • NCI60_003877
  • SCHEMBL676523
  • CHEMBL1998622
  • LMPK12140564
  • NS00015853
  • NEPMMBQHELYZIW-UHFFFAOYSA-N
  • SMR001875485
  • MLS003171608
  • MLSMR
  • Sakuranin
物化性质
实验特性
LogP 0.28600
PSA 155.14000
折射率 1.652
沸点 780.2°Cat760mmHg
闪点 273.7°C
密度 1.507
计算特性
精确分子量 448.137
氢键供体数量 5
氢键受体数量 10
可旋转化学键数量 5
同位素质量 448.137
重原子数量 32
复杂度 638
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
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) 0.4
拓扑分子极性表面积 155A^2
相关文献
专业数据库参考
PubChemId 73607
化合物详情(旧版)

物理化学性质

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