CAS号:480-10-4-紫云英苷 - Astragalin-科华智慧

1. 主信息

英文名:	Astragalin
中文名:	紫云英苷
CAS编号:	480-10-4
化学分子式：	C₂₁H₂₀O₁₁
化学分子量：	448.4 g/mol
SMILES：	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
来源：	楝番薯黄花蒿桑莲
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	astragalin kaempferol 3-O-beta-D-glucopyranoside

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%	300	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 52 55 0 1 0 0 0 0 0999 V2000 1.1523 1.8936 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 0.0082 -1.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 2.0928 -0.8873 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 3.5288 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 -0.4180 -1.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 3.4190 1.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9903 -1.6153 0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 1.8797 -1.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6317 2.6715 -1.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4995 -0.3334 1.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 -5.5296 0.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 1.6755 -0.1414 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3108 2.9265 0.3873 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0859 0.8610 -1.0442 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9432 2.5738 0.9770 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7208 0.6462 -0.3908 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1743 3.8200 1.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 -0.2163 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 -1.3443 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 0.8328 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7535 0.5449 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -0.6699 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -2.4411 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 1.4707 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 -0.9675 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -2.4543 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -3.4665 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 1.1710 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2695 -0.0456 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9155 -3.4922 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -4.5044 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -4.5173 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 1.0620 0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 3.6506 -0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 1.3556 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 1.9235 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 0.0042 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 4.4855 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 4.3798 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 2.6255 -1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 4.4304 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -0.9226 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 2.9195 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3966 -1.9167 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -1.6688 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -3.4702 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.8861 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -3.4916 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -5.3000 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 2.7745 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4723 -1.2139 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.3783 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 40 1 0 0 0 0 4 13 1 0 0 0 0 4 41 1 0 0 0 0 5 14 1 0 0 0 0 5 42 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 20 2 0 0 0 0 9 24 1 0 0 0 0 9 50 1 0 0 0 0 10 29 1 0 0 0 0 10 51 1 0 0 0 0 11 32 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 44 1 0 0 0 0 26 30 1 0 0 0 0 26 45 1 0 0 0 0 27 31 2 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

4.2 InChl

InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1

4.3 InChlKey

JPUKWEQWGBDDQB-QSOFNFLRSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -1.73205 -3 0 0
M  V30 2 C -1.73205 -4 0 0
M  V30 3 C -2.59808 -4.5 0 0
M  V30 4 C -3.4641 -4 0 0
M  V30 5 C -3.4641 -3 0 0
M  V30 6 C -2.59808 -2.5 0 0
M  V30 7 C -2.59808 -1.5 0 0
M  V30 8 C -1.73205 -1 0 0
M  V30 9 C -1.73205 -1.11022e-16 0 0
M  V30 10 O -0.866025 0.5 0 0
M  V30 11 C -2.59808 0.5 0 0
M  V30 12 C -2.59808 1.5 0 0
M  V30 13 C -3.4641 2 0 0
M  V30 14 C -4.33013 1.5 0 0
M  V30 15 C -4.33013 0.5 0 0
M  V30 16 C -3.4641 -4.44089e-16 0 0
M  V30 17 O -3.4641 -1 0 0
M  V30 18 O -5.19615 2 0 0
M  V30 19 O -1.73205 2 0 0
M  V30 20 O -0.866025 -1.5 0 0
M  V30 21 C -8.32667e-16 -1 0 0
M  V30 22 C 0.866025 -1.5 0 0
M  V30 23 C 1.73205 -1 0 0
M  V30 24 C 1.73205 -1.55431e-15 0 0
M  V30 25 C 0.866025 0.5 0 0
M  V30 26 O 0 -0 0 0
M  V30 27 C 0.866025 1.5 0 0
M  V30 28 O 2.22045e-15 2 0 0
M  V30 29 O 2.59808 0.5 0 0
M  V30 30 O 2.59808 -1.5 0 0
M  V30 31 O 0.866025 -2.5 0 0
M  V30 32 O -2.59808 -5.5 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 32
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 17
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 8 20
M  V30 13 2 9 10
M  V30 14 1 9 11
M  V30 15 1 11 16
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 1 12 19
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 1 14 18
M  V30 22 2 15 16
M  V30 23 1 16 17
M  V30 24 1 20 21
M  V30 25 1 21 26
M  V30 26 1 21 22
M  V30 27 1 22 23
M  V30 28 1 22 31
M  V30 29 1 23 24
M  V30 30 1 23 30
M  V30 31 1 24 25
M  V30 32 1 24 29
M  V30 33 1 25 26
M  V30 34 1 25 27
M  V30 35 1 27 28
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
八角茴香	Chinese Star Anise	Fructus Anisi Stellati
八角莲	Dysosmae Verspiellis Rhixoma Et Radix	-
白果叶	Ginkgo Leaf	Ginkgo biloba
白芍	White peony root	Radix Paeoniae Alba
萹蓄	all-grass of common knotgrass	Herba Polygoni Avicularis
布渣叶	Microctis Folium	-
赤芍	Red Peony root	Radix Paeoniae Rubra
臭冷杉	Khingan Fir	Abies nephrolepis
葱白	Allium bulb, Wild scallion, Chinese green onion	Bulbus Allii Fistulosi
醋柳果	Seabuckthorn Fruit Equivalent plant: Hippophae rha	Hippophae rhamnoides

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型