CAS号:82373-94-2-2,3,5,4-四羟基二苯乙烯葡萄糖苷 - 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside-科华智慧

1. 主信息

英文名:	2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside
中文名:	2,3,5,4-四羟基二苯乙烯葡萄糖苷
CAS编号:	82373-94-2
化学分子式：	C₂₀H₂₂O₉
化学分子量：	406.4 g/mol
SMILES：	C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
来源：	何首乌
结构类型：	二苯乙烯类
其它名称或标识：	(E)-2,3,4',5-beta-tetrahydroxystilbene-2-beta-D-glucopyranoside 2,3,4',5-tetrahydroxystilbene-2-O-beta-D-glucoside 2,3,5,4'-tetrahydroxystilbene 2-O-beta-D-glucoside 2,3,5,4'-tetrahydroxystilbene 2-O-glucopyranoside 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	80	点击购买	2-8℃	现货	-
科华智慧	1g	HPLC≥98%	2800	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 51 53 0 1 0 0 0 0 0999 V2000 0.7179 -1.0150 -0.5303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 -0.1458 1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -4.8050 1.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.4299 -1.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8372 -2.7610 1.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.4254 -3.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 0.7705 0.7312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 4.8460 -0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 -0.0173 0.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -3.7102 0.2437 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2423 -3.3798 -0.7688 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6392 -2.5124 1.1450 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5447 -2.0624 -1.4865 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8356 -1.2364 0.3266 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5923 -1.6522 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 1.0937 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 1.8971 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.5468 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 3.1590 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 2.8087 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 1.4452 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 3.6146 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 1.7795 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 1.3073 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 0.1660 0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8323 2.0138 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 -0.2811 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1331 1.5666 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 0.4192 0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -4.0510 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -3.3247 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.3800 1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 -2.1412 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 -1.2997 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -1.4978 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -2.3964 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 -5.5436 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -4.4812 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.8804 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 0.2230 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4163 3.8197 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 3.1649 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 0.8067 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 2.4233 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 1.2483 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 4.9979 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 -0.4242 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 2.9102 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4315 -1.1790 1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9683 2.1214 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2435 0.5853 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 3 37 1 0 0 0 0 4 11 1 0 0 0 0 4 38 1 0 0 0 0 5 12 1 0 0 0 0 5 39 1 0 0 0 0 6 15 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 8 22 1 0 0 0 0 8 46 1 0 0 0 0 9 29 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1

4.3 InChlKey

JAYVHSBYKLLDJC-DSNJPTTOSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.33013 1.5 0 0
M  V30 2 C -5.19615 1 0 0
M  V30 3 C -6.06218 1.5 0 0
M  V30 4 C -6.06218 2.5 0 0
M  V30 5 C -5.19615 3 0 0
M  V30 6 C -4.33013 2.5 0 0
M  V30 7 C -3.4641 3 0 0
M  V30 8 C -2.59808 2.5 0 0
M  V30 9 C -2.59808 1.5 0 0
M  V30 10 C -1.73205 1 0 0
M  V30 11 C -1.73205 -2.44249e-15 0 0
M  V30 12 C -2.59808 -0.5 0 0
M  V30 13 C -3.4641 -5.55112e-15 0 0
M  V30 14 C -3.4641 1 0 0
M  V30 15 O -4.33013 -0.5 0 0
M  V30 16 O -0.866025 -0.5 0 0
M  V30 17 O -0.866025 1.5 0 0
M  V30 18 C -2.498e-15 1 0 0
M  V30 19 C 0.866025 1.5 0 0
M  V30 20 C 1.73205 1 0 0
M  V30 21 C 1.73205 3.9968e-15 0 0
M  V30 22 C 0.866025 -0.5 0 0
M  V30 23 O -0 -0 0 0
M  V30 24 C 0.866025 -1.5 0 0
M  V30 25 O 3.88578e-15 -2 0 0
M  V30 26 O 2.59808 -0.5 0 0
M  V30 27 O 2.59808 1.5 0 0
M  V30 28 O 0.866025 2.5 0 0
M  V30 29 O -6.9282 1 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 29
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 14
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 1 10 17
M  V30 15 2 11 12
M  V30 16 1 11 16
M  V30 17 1 12 13
M  V30 18 2 13 14
M  V30 19 1 13 15
M  V30 20 1 17 18
M  V30 21 1 18 23
M  V30 22 1 18 19
M  V30 23 1 19 20
M  V30 24 1 19 28
M  V30 25 1 20 21
M  V30 26 1 20 27
M  V30 27 1 21 22
M  V30 28 1 21 26
M  V30 29 1 22 23
M  V30 30 1 22 24
M  V30 31 1 24 25
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
枸骨叶	Folium Ilicis Cornutae	-
何首乌	Tuber Fleeceflower	Polygonum multiflorum
虎杖	rhizome of Gaint Knotweed	Rhizoma Polygoni cuspidati

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7. 相关靶点

基因靶点	靶点位置	参考文献
EPO	7q22.1	26177968
PPARGC1A	4p15.2	26177968

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8. 相关疾病

疾病名称	疾病类型	参考文献
Memory Disorders	disease	26177968

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