基本情報
- CAS
65098-54-6- 標準SMILES
CC1O[C@H](O[C@H]2C(CO)O[C@@H](O)[C@@H](O)C2O)[C@H](O)C(O)[C@@H]1O[C@H]1CC(CO)[C@@H](O[C@H]2OC(CO)C(O)C(O)[C@H]2O)C(O)[C@H]1O- InChIKey
BCFZQCIBUSMFIH-FZEXJKNTSA-N- 分子式
- C25H44O19
- 平均分子量
- 648.6 g/mol
- 単同位体質量
- 648.24767917
概要
oligosaccharide containing glucose as monomeric unit with an additional N-containing moiety
名称と識別子
- 優先名称
- Aplanin
- IUPAC
- (2S,3R)-2-[(1R,3R,4S)-4-[(3S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(3R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 英語名
- BAY-e 4609
- 分子式
- C25H44O19
- 分子量
- 0
名称と別名
Aplanin65098-54-6Bay e 4609BAYe4609BAY e4609BAY-e-4609RefChem:113418Bay-e 4609(2S,3R)-2-[(1R,3R,4S)-4-[(3S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(3R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolorb1698371SCHEMBL30448755DTXSID00983642
名称をさらに表示
AKOS040750542(2R,3S,5R)-5-(((2R,3R,5S)-5-(((1S,2R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-(((2S,3R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohexyl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triolT300974-O-{6-Deoxy-4-O-[(1S,2R,4R)-4-[(alpha-D-glycero-hexopyranosyl)oxy]-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-alpha-D-erythro-hexopyranosyl}-alpha-L-erythro-hexopyranose4-O-{6-Deoxy-4-O-[4-(hexopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]hexopyranosyl}hexopyranose
データベース識別子
- CAS
65098-54-6- PubChem CID
- 3085308
- DTXSID
物性
構造計算による物性
- XLogP
- -7.4
- 極性表面積
- 318 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 19
- 回転可能結合数
- 9
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 902
化学と産業
応用分野
一般的な説明BAY-e 4609, an -amylase inhibitor of microbial origin, was characterized to be of carbohydrate nature and showed a significantly higher inhibitory potency. However, also this compound demonstrated only modest efficacy in clinical trials. Because -amylase inhibitors affect only starch digestion, the degradation of important oligo- and disaccharides by the membrane bound enzymes is not inhibited, the overall efficacy is only modest.
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