Helianthoside A
概要：Helianthoside A（CAS 139164-70-8）是一种化学化合物，分子式为C53H86O21，分子量为1058.57 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务，支持克级到吨级规格。
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
又称：Helianthoside A, (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2R,3R,4R,5S,6R)-5-((2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-3,4-dihydroxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 10-((4-((3,4-dihydroxy-6-methyl-5-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy)-3,5-dihydroxy-6-(((3,4,5-trihydroxyoxan-2-yl)oxy)methyl)oxan-2-yl)oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
| 分子式 | C53H86O21 |
|---|---|
| 分子量 | 1058.57 g/mol |
| LogP | 1.0 |
| 拓扑极性表面积 | 334.0 Ų |
| 氢键供体数 | 12 |
| 氢键受体数 | 21 |
| 可旋转键数 | 10 |
| 精确质量 | 1058.5662 |
| 重原子数 | 74 |
| 复杂度 | 2060.0 |
化学标识符
| CAS 编号 | 139164-70-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(C[C@H]([C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)O)C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)C)O)O)O)O |
| InChIKey | GAMQIEGJRMEAEJ-NIJXBJTFSA-N |
产品概述
Helianthoside A（CAS 139164-70-8），分子式为C53H86O21，分子量为1058.57 g/mol。IUPAC名：(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid。
Helianthoside A化学性质概览
属性洞察：Helianthoside A
Helianthoside A的XLogP值为1.0，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为334.0 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，Helianthoside A有12个氢键供体和21个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
Helianthoside A的CAS号是多少？
Helianthoside A的CAS号为139164-70-8。
Helianthoside A的分子式是什么？
Helianthoside A的分子式为C53H86O21。
Helianthoside A的分子量是多少？
Helianthoside A的分子量为1058.57 g/mol。
在哪里可以购买Helianthoside A？
您可以直接向科弘生物询价Helianthoside A。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供Helianthoside A的定制合成服务？
是的，科弘生物提供Helianthoside A及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。