CAS号:27661-51-4-堪非醇-3-O-桑布双糖苷

1. 主信息

英文名:	Leucoside
中文名:	堪非醇-3-O-桑布双糖苷
CAS编号:	27661-51-4
化学分子式：	C₂₆H₂₈O₁₅
化学分子量：	580.5 g/mol
SMILES：	C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O
来源：	背扁黄耆高山红景天
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	leucoside

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%	1280	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 69 73 0 1 0 0 0 0 0999 V2000 -2.6143 -0.9177 0.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 -2.3580 0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 -0.0955 -1.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -0.3012 -0.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 -3.8240 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9318 -5.1525 1.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 -0.0620 0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8846 2.1882 -1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9542 1.6348 -3.8602 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9598 -3.6408 1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 1.9575 0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -1.2345 -1.8784 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 -1.1263 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 2.2969 -0.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7095 3.7086 3.4368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 -1.9258 0.1305 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9157 -3.1557 0.9981 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7501 -4.1428 0.9331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5811 -3.4283 1.1779 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2577 -1.3495 0.3961 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3849 -0.5820 -0.7259 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3944 0.4926 -0.3190 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1669 1.0232 -1.5265 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2177 1.3837 -2.6687 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7682 -4.3700 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 0.2437 -2.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 0.2787 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 1.3308 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -0.2778 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.3833 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 1.4715 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 1.9525 1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.0678 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9477 2.1167 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 2.5013 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 1.9934 2.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0137 0.5791 -1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0902 1.6691 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 3.0911 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 2.5833 3.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 3.1321 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 -2.2353 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1252 -2.8617 2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -4.6405 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 -3.0133 2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -0.9342 1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 -1.4873 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 1.3120 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9205 0.3016 -1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 2.2985 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -4.7596 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 -5.2059 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 0.5428 -3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7589 -0.6423 -3.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 -4.0778 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 -4.7225 2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7735 -0.8112 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 2.8558 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3173 1.8747 -4.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -4.2568 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 2.9662 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8515 2.4855 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2711 1.5675 3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9035 0.2290 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 3.5197 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 2.6084 4.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 -1.4996 -2.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 1.8573 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 3.6483 4.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 55 1 0 0 0 0 6 18 1 0 0 0 0 6 56 1 0 0 0 0 7 22 1 0 0 0 0 7 57 1 0 0 0 0 8 23 1 0 0 0 0 8 58 1 0 0 0 0 9 24 1 0 0 0 0 9 59 1 0 0 0 0 10 25 1 0 0 0 0 10 60 1 0 0 0 0 11 28 1 0 0 0 0 11 31 1 0 0 0 0 12 29 2 0 0 0 0 13 33 1 0 0 0 0 13 67 1 0 0 0 0 14 38 1 0 0 0 0 14 68 1 0 0 0 0 15 41 1 0 0 0 0 15 69 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 25 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 34 61 1 0 0 0 0 35 39 1 0 0 0 0 35 62 1 0 0 0 0 36 40 2 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 64 1 0 0 0 0 39 41 2 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 40 66 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1

4.3 InChlKey

RXAXTTGJEMODPY-CJNLAGEVSA-N

4.4 Canonical SMILES

C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O

4.5 lsomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.4641 6 0 0
M  V30 2 C 4.33013 5.5 0 0
M  V30 3 C 4.33013 4.5 0 0
M  V30 4 C 3.4641 4 0 0
M  V30 5 C 2.59808 4.5 0 0
M  V30 6 O 2.59808 5.5 0 0
M  V30 7 O 1.73205 4 0 0
M  V30 8 C 0.866025 4.5 0 0
M  V30 9 C 0.866025 5.5 0 0
M  V30 10 C 1.15378e-14 6 0 0
M  V30 11 C -0.866025 5.5 0 0
M  V30 12 O -0.866025 4.5 0 0
M  V30 13 C 8.35798e-15 4 0 0
M  V30 14 O 5.76889e-15 3 0 0
M  V30 15 C -0.866025 2.5 0 0
M  V30 16 C -0.866025 1.5 0 0
M  V30 17 O -1.73205 1 0 0
M  V30 18 C -2.59808 1.5 0 0
M  V30 19 C -3.4641 1 0 0
M  V30 20 C -4.33013 1.5 0 0
M  V30 21 C -4.33013 2.5 0 0
M  V30 22 C -3.4641 3 0 0
M  V30 23 C -2.59808 2.5 0 0
M  V30 24 C -1.73205 3 0 0
M  V30 25 O -1.73205 4 0 0
M  V30 26 O -3.4641 4 0 0
M  V30 27 O -5.19615 1 0 0
M  V30 28 C 1.92296e-15 1 0 0
M  V30 29 C 0.866025 1.5 0 0
M  V30 30 C 1.73205 1 0 0
M  V30 31 C 1.73205 -1.55431e-15 0 0
M  V30 32 C 0.866025 -0.5 0 0
M  V30 33 C 0 -0 0 0
M  V30 34 O 2.59808 -0.5 0 0
M  V30 35 C -1.73205 6 0 0
M  V30 36 O -1.73205 7 0 0
M  V30 37 O 1.23505e-14 7 0 0
M  V30 38 O 1.73205 6 0 0
M  V30 39 O 3.4641 3 0 0
M  V30 40 O 5.19615 4 0 0
M  V30 41 O 5.19615 6 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 41
M  V30 5 1 3 4
M  V30 6 1 3 40
M  V30 7 1 4 5
M  V30 8 1 4 39
M  V30 9 1 5 6
M  V30 10 1 5 7
M  V30 11 1 7 8
M  V30 12 1 8 13
M  V30 13 1 8 9
M  V30 14 1 9 10
M  V30 15 1 9 38
M  V30 16 1 10 11
M  V30 17 1 10 37
M  V30 18 1 11 12
M  V30 19 1 11 35
M  V30 20 1 12 13
M  V30 21 1 13 14
M  V30 22 1 14 15
M  V30 23 1 15 24
M  V30 24 2 15 16
M  V30 25 1 16 17
M  V30 26 1 16 28
M  V30 27 1 17 18
M  V30 28 1 18 23
M  V30 29 2 18 19
M  V30 30 1 19 20
M  V30 31 2 20 21
M  V30 32 1 20 27
M  V30 33 1 21 22
M  V30 34 2 22 23
M  V30 35 1 22 26
M  V30 36 1 23 24
M  V30 37 2 24 25
M  V30 38 1 28 33
M  V30 39 2 28 29
M  V30 40 1 29 30
M  V30 41 2 30 31
M  V30 42 1 31 32
M  V30 43 1 31 34
M  V30 44 2 32 33
M  V30 45 1 35 36
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

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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