基本情報
- CAS
162857-62-7- 標準SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
IYMDTUUDLAHXGD-NDQJOVDZSA-N- 分子式
- C48H78O19
- 平均分子量
- 959.1 g/mol
概要
Polygalasaponin II has been reported in Polygala japonica with data available.
名称と識別子
- 優先名称
- Polygalasaponin II
- IUPAC
- [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 英語名
- Polygalasaponin II
- 分子式
- C48H78O19
- 分子量
- 959.12
名称と別名
162857-62-7RefChem:175144((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl) (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate(2R,3S,4R,5S,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl (4as,6ar,6BR,8as,9R,10R,11R,12as,12BR,14BS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid(2R,3S,4R,5S,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (4as,6ar,6BR,8as,9R,10R,11R,12as,12BR,14BS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylatePolygalasaponin LIIPolygalasaponinIIHY-N8112FS-7387DA-76978CS-0140158
名称をさらに表示
Polygalasaponin IIOlean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-, 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl ester, (2β,3β,4α)-
E88784
データベース識別子
- CAS
162857-62-7
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 315 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 19
- 回転可能結合数
- 10
- 重原子数
- 67
- 形式電荷
- 0
- 複雑度
- 1,840
物理化学的性質
- 沸点
- 1024.9 · 1024.9±65.0 °C(Predicted)
- 比重(密度)
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.62 · 12.62±0.70(Predicted)
化学と産業
サプライヤー20 社
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Mensura Group Limited18780014153 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
武汉顶全科技有限公司18971486879 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
成都普菲德对照品科技有限公司028-82610909 15882229804 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…