3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸 | 14364-05-7
3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸
2-Propenoic acid,3-[4-(b-D-glucopyranosyloxy)phenyl]-
14364-05-7
C15H18O8
326.29862
名称和标识符
InChIKey |
LJFYQZQUAULRDF-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18) |
SMILES |
O1C(C(C(C(C1CO)O)O)O)OC1C=CC(C=CC(=O)O)=CC=1 |
别名信息
- 中文别名 -
- 3-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-2-丙烯酸
- 英文别名 -
- 2-Propenoic acid,3-[4-(b-D-glucopyranosyloxy)phenyl]-
- (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
- 4-(b-D-Glucopyranosyloxy)cinnamic acid
- 4-O-b-D-Glucopyranosyl-p-coumaricacid
- Cinnamicacid, p-(b-D-glucopyranosyloxy)- (6CI,8CI)
- Glucopyranoside, p-(2-carboxyvinyl)phenyl, b-D- (8CI)
- Glucosido-p-coumaric acid
- p-(Glucosyloxy)cinnamic acid
- p-Coumaric acid4-O-b-D-glucopyranoside
- p-Coumaricacid b-glucoside
- trans-p-Coumaricacid-4-O-b-D-glucopyranoside
- p-Coumaric acid 4-O-beta-D-glucopyranoside
- p-Coumaric acid glucoside
- p-Coumaric acid beta-glucoside
- trans-p-Coumaric acid 4-glucoside
- 2-PROPENOIC ACID, 3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-
- 4-(.BETA.-D-GLUCOPYRANOSYLOXY)CINNAMIC ACID
- F94813
- e-4-O-beta-d-glucopyranosyl-p-coumaric acid
- DTXSID101030453
- ACon1_000738
- GLUCOSIDO-P-COUMARIC ACID
- (2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
- 4-O-beta-D-glucosyl-trans-4-coumaric acid
- Q7116889
- P-COUMARIC ACID .BETA.-GLUCOSIDE
- Coumaric acid O-glucoside
- 14364-05-7
- 4-O-.BETA.-D-GLUCOPYRANOSYL-P-COUMARIC ACID
- P-COUMARIC ACID 4-O-.BETA.-D-GLUCOPYRANOSIDE
- trans-beta-D-glucosyl-4-hydroxycinnamic acid
- 4-O-[4-(2-carboxyvinyl)phenyl]-beta-D-glucopyranose
- AKOS040736222
- 4-O-.BETA.-D-GLUCOPYRANOSYL CINNAMATE
- UNII-7ABG62Y8UG
- Coumaric acid 4-O-glucoside
- (2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid
- p-coumaric acid glucoside
- 4-O-D-Glucopyranosyl-p-coumaric acid
- 4-O-beta-D-glucosyl-4-coumaric acid
- (E)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acrylic acid
- CHEBI:83032
- 117405-49-9
- CHEMBL3978496
- 2-Propenoic acid, 3-(4-(beta-D-glucopyranosyloxy)phenyl)-
- 7ABG62Y8UG
- SCHEMBL8430469
- NCGC00169406-01
- 4-O-beta-D-glucosyl-4-hydroxycinnamic acid
- 3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-propenoic acid
- P-(GLUCOSYLOXY)CINNAMIC ACID
- GLUCOPYRANOSIDE, P-(2-CARBOXYVINYL)PHENYL, .BETA.-D-
- NCGC00169406-02
- CHEBI:17335
- MEGxp0_000649
- 3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-2-PROPENOIC ACID
- CINNAMIC ACID, P-(.BETA.-D-GLUCOPYRANOSYLOXY)-
- C04415
物化性质
实验特性
溶解度 |
略溶 (13 g/L) (25 ºC), |
密度 |
1.538±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
326.10016753g/mol |
氢键供体数量 |
5 |
氢键受体数量 |
8 |
可旋转化学键数量 |
5 |
同位素质量 |
326.10016753g/mol |
重原子数量 |
23 |
复杂度 |
418 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
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) |
0.1 |
拓扑分子极性表面积 |
137Ų |
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