CAS号:13133-07-8-耐斯糖（蔗果四糖）

1. 主信息

英文名:	Nystose
中文名:	耐斯糖（蔗果四糖）
CAS编号:	13133-07-8
化学分子式：	C₂₄H₄₂O₂₁
化学分子量：	666.6 g/mol
SMILES：	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO)O)O)O)O
来源：	白术巴戟天
结构类型：	糖类
其它名称或标识：	fungitetraose nystose nystose trihydrate O-beta-D-Fru(2-1)-O-beta-D-Fru-(2-1)-O-beta-D-Fru-(2-1)-alpha-D-Glc O-fructofuranosyl-2-1-O-fructofuranosyl-2-1-fructofuranosyl 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%	150	点击购买	2-8℃，氮气保存	现货	-
科华智慧	100mg	≥97%	720	点击购买	2-8℃，氮气保存	现货	-
科华智慧	250mg	≥97%	1200	点击购买	2-8℃，氮气保存	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 87 90 0 1 0 0 0 0 0999 V2000 -0.7540 1.1638 0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 1.8916 -1.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 1.7802 0.1728 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -0.5139 0.5777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 -0.6772 0.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2696 -1.9822 -0.9796 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 -0.2572 2.9777 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4484 -0.3286 -0.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 2.0425 1.4306 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 2.4843 3.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 4.5975 -0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 -1.9551 2.6054 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -2.0905 1.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 -2.1178 -1.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 -4.1642 -1.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 3.5528 -0.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 3.7763 -3.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -3.7663 0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5448 -3.0158 1.2268 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1841 -0.8905 -2.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0946 -0.8460 -1.3322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 1.2657 -0.4981 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5479 0.5884 0.7046 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8896 2.2213 0.0510 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3287 0.8995 2.1816 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5930 1.6630 2.5143 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2625 3.5640 -0.2586 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2550 0.2842 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 2.5067 1.2570 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6684 3.3030 -1.6381 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3879 -0.1190 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4336 -1.9823 0.1926 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3813 -2.3318 1.3355 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0380 -0.5557 -0.7202 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6213 -1.5591 0.9392 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6371 -1.7770 -0.5696 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7260 -1.8542 -1.4659 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4786 -3.0421 -0.8695 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2270 2.7749 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 4.0918 -1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 -2.7168 -0.7209 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1718 -1.3699 -0.0147 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3039 -2.9871 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2218 -0.6005 -1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -0.9508 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 1.5561 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 2.1164 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 0.9851 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 3.8359 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -0.7439 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 0.4003 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2355 3.4623 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 3.5148 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -0.7571 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1916 0.0039 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 -3.4077 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 0.2364 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5418 -0.5023 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1825 -2.6889 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 -1.7532 -2.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -3.3459 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 3.3259 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 1.8453 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 3.8189 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 5.1687 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -2.7142 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 -1.4303 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -3.9893 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 -2.7589 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -0.7270 2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 2.7616 1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 3.0810 3.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9128 4.3467 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 0.3087 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 -0.4192 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -2.1038 3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 0.0309 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2577 -1.6791 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8475 -3.0344 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 -1.5077 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -3.9182 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2303 3.7105 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 4.2903 -3.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -3.7634 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -3.6699 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5618 -0.1234 -3.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 -0.5739 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 22 1 0 0 0 0 2 30 1 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 23 1 0 0 0 0 4 34 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 32 1 0 0 0 0 6 36 1 0 0 0 0 7 25 1 0 0 0 0 7 70 1 0 0 0 0 8 34 1 0 0 0 0 8 42 1 0 0 0 0 9 24 1 0 0 0 0 9 71 1 0 0 0 0 10 26 1 0 0 0 0 10 72 1 0 0 0 0 11 27 1 0 0 0 0 11 73 1 0 0 0 0 12 33 1 0 0 0 0 12 76 1 0 0 0 0 13 35 1 0 0 0 0 13 79 1 0 0 0 0 14 37 1 0 0 0 0 14 80 1 0 0 0 0 15 38 1 0 0 0 0 15 81 1 0 0 0 0 16 39 1 0 0 0 0 16 82 1 0 0 0 0 17 40 1 0 0 0 0 17 83 1 0 0 0 0 18 41 1 0 0 0 0 18 84 1 0 0 0 0 19 43 1 0 0 0 0 19 85 1 0 0 0 0 20 44 1 0 0 0 0 20 86 1 0 0 0 0 21 45 1 0 0 0 0 21 87 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 39 1 0 0 0 0 29 52 1 0 0 0 0 30 40 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 43 1 0 0 0 0 33 35 1 0 0 0 0 33 56 1 0 0 0 0 34 37 1 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 58 1 0 0 0 0 36 44 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 37 60 1 0 0 0 0 38 41 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 42 1 0 0 0 0 41 66 1 0 0 0 0 42 45 1 0 0 0 0 42 67 1 0 0 0 0 43 68 1 0 0 0 0 43 69 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1

4.3 InChlKey

FLDFNEBHEXLZRX-DLQNOBSRSA-N

4.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO)O)O)O)O

4.5 lsomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 48 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.15616 4.06489 0 0
M  V30 2 C 5.15616 3.0853 0 0
M  V30 3 C 6.00451 2.59551 0 0
M  V30 4 C 6.00451 1.61591 0 0
M  V30 5 C 5.15616 1.12612 0 0
M  V30 6 C 4.30781 1.61591 0 0
M  V30 7 O 4.30781 2.59551 0 0
M  V30 8 O 2.61111 0.636322 0 0
M  V30 9 C 1.76276 1.12612 0 0
M  V30 10 C 2.16119 2.02102 0 0
M  V30 11 C 1.43321 2.67649 0 0
M  V30 12 C 0.584861 2.1867 0 0
M  V30 13 O 0.78853 1.22851 0 0
M  V30 14 C -0.31004 2.58513 0 0
M  V30 15 O -1.10255 2.00935 0 0
M  V30 16 O 1.53561 3.65072 0 0
M  V30 17 O 3.11938 2.22469 0 0
M  V30 18 C 1.76276 0.146526 0 0
M  V30 19 O 2.61111 -0.34327 0 0
M  V30 20 C 2.61111 -1.32286 0 0
M  V30 21 C 2.45787 -2.29039 0 0
M  V30 22 C 3.33069 -2.73512 0 0
M  V30 23 C 4.02336 -2.04244 0 0
M  V30 24 O 3.57864 -1.16962 0 0
M  V30 25 C 4.9909 -2.19568 0 0
M  V30 26 O 5.60737 -1.4344 0 0
M  V30 27 O 3.48393 -3.70265 0 0
M  V30 28 O 1.58504 -2.73512 0 0
M  V30 29 C 1.6511 -1.51775 0 0
M  V30 30 O 1.00232 -0.783794 0 0
M  V30 31 C 0.0423059 -0.978678 0 0
M  V30 32 C -0.875399 -1.32134 0 0
M  V30 33 C -1.48488 -0.554441 0 0
M  V30 34 C -0.943851 0.262193 0 0
M  V30 35 O 0 -0 0 0
M  V30 36 C -1.28651 1.1799 0 0
M  V30 37 O -2.2526 1.34199 0 0
M  V30 38 O -2.46356 -0.596747 0 0
M  V30 39 O -1.13759 -2.26519 0 0
M  V30 40 C 0.0423059 -1.95827 0 0
M  V30 41 O 0.890657 -2.44807 0 0
M  V30 42 O 5.15616 0.146526 0 0
M  V30 43 O 6.85286 1.12612 0 0
M  V30 44 O 6.85286 3.0853 0 0
M  V30 45 O 6.00451 4.55469 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 45
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 44
M  V30 7 1 4 5
M  V30 8 1 4 43
M  V30 9 1 5 6
M  V30 10 1 5 42
M  V30 11 1 6 7
M  V30 12 1 6 8
M  V30 13 1 8 9
M  V30 14 1 9 13
M  V30 15 1 9 10
M  V30 16 1 9 18
M  V30 17 1 10 11
M  V30 18 1 10 17
M  V30 19 1 11 12
M  V30 20 1 11 16
M  V30 21 1 12 13
M  V30 22 1 12 14
M  V30 23 1 14 15
M  V30 24 1 18 19
M  V30 25 1 19 20
M  V30 26 1 20 24
M  V30 27 1 20 21
M  V30 28 1 20 29
M  V30 29 1 21 22
M  V30 30 1 21 28
M  V30 31 1 22 23
M  V30 32 1 22 27
M  V30 33 1 23 24
M  V30 34 1 23 25
M  V30 35 1 25 26
M  V30 36 1 29 30
M  V30 37 1 30 31
M  V30 38 1 31 35
M  V30 39 1 31 32
M  V30 40 1 31 40
M  V30 41 1 32 33
M  V30 42 1 32 39
M  V30 43 1 33 34
M  V30 44 1 33 38
M  V30 45 1 34 35
M  V30 46 1 34 36
M  V30 47 1 36 37
M  V30 48 1 40 41
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
巴戟天	Morindae Officilis Radix	-

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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