樱花苷 | 529-39-5
中文名称:
樱花苷
英文名称:
4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-,(2S)-
CAS No.:
529-39-5
分子式:
C2 2 H2 4 O1 0
分子量:
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
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
- 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
1.
Organic chemistry
J. Chem. Soc. Abstr. 1908 94 A493
2.
Pre-treatment and extraction techniques for recovery of added value compounds from wastes throughout the agri-food chain
Mehrdad Arshadi,Thomas M. Attard,Rafal M. Lukasik,Mladen Brncic,André M. da Costa Lopes,Michael Finell,Paul Geladi,Lia Noemi Gerschenson,Fahrettin Gogus,Miguel Herrero,Andrew J. Hunt,Elena Ibá?ez,Birgit Kamm,Inmaculada Mateos-Aparicio,Ana Matias,Nikolaos E. Mavroudis,Enzo Montoneri,Ana Rita C. Morais,Calle Nilsson,Emmanouil H. Papaioannou,Aurore Richel,Pilar Rupérez,Biljana ?krbi?,Marija Bodro?a Solarov,Jaroslava ?varc-Gaji?,Keith W. Waldron,F. J. Yuste-Córdoba Green Chem. 2016 18 6160
3.
Index of subjects
J. Chem. Soc. Abstr. 1908 94 B1219
4.
Rapid characterization of the chemical constituents of Sanhua decoction by UHPLC coupled with Fourier transform ion cyclotron resonance mass spectrometry
Yanhui Zhao,Miao Wang,Lin Sun,Xue Jiang,Min Zhao,Chunjie Zhao RSC Adv. 2020 10 26109
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