dipsacus saponin B
概要:dipsacus saponin B(CAS 152406-42-3)是一种化学化合物,分子式为C59H96O26,分子量为1220.62 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。
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
又称:Dipsacus saponin B, (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Hederagenin-3-O-glucopyranosyl-1-4-(rhamnopyranosyl-1-6)-glucopyranosyl-1-3-rhamnopyranosyl-1-2-arabinopyranoside, (3beta,4alpha)-3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid, 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(beta-D-glucopyranosyl-(1-4))-O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid (3beta,4alpha)-
| 分子式 | C59H96O26 |
|---|---|
| 分子量 | 1220.62 g/mol |
| LogP | -1.9787 |
| 拓扑极性表面积 | 412.82 Ų |
| 氢键供体数 | 15 |
| 氢键受体数 | 25 |
| 可旋转键数 | 14 |
| 精确质量 | 1220.619 |
| 重原子数 | 85 |
| 复杂度 | 2365.5056 |
化学标识符
| CAS 编号 | 152406-42-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@@]5([C@H]6CC=C7[C@H]8CC(CC[C@@]8(CC[C@]7([C@@]6(CCC5C4(C)CO)C)C)C(=O)O)(C)C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)O)O)O)O |
产品概述
dipsacus saponin B(CAS 152406-42-3),分子式为C59H96O26,分子量为1220.62 g/mol。IUPAC名:(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid。
dipsacus saponin B化学性质概览
属性洞察:dipsacus saponin B
dipsacus saponin B的XLogP值为-1.9787,表明该化合物具有亲水性(水溶性好),适合水性配方和生物检测应用。 TPSA为412.82 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,dipsacus saponin B有15个氢键供体和25个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
dipsacus saponin B的CAS号是多少?
dipsacus saponin B的CAS号为152406-42-3。
dipsacus saponin B的分子式是什么?
dipsacus saponin B的分子式为C59H96O26。
dipsacus saponin B的分子量是多少?
dipsacus saponin B的分子量为1220.62 g/mol。
在哪里可以购买dipsacus saponin B?
您可以直接向科弘生物询价dipsacus saponin B。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
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