基本情報
- 標準SMILES
Cc1cc(OCCC(=O)NC(C)(C)C(=O)NCCCO)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C- InChIKey
XAXSNNSJNPJIGJ-DEPSJERBSA-N- 分子式
- C30H46N4O10
- 平均分子量
- 622.7 g/mol
名称と識別子
- 優先名称
- 3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methyl-phenyl)methyl]-5-isopropyl-1H-pyrazole
- IUPAC
- N-(3-hydroxypropyl)-2-methyl-2-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propanoylamino]propanamide
名称と別名
SCHEMBL3167554XAXSNNSJNPJIGJ-DEPSJERBSA-N3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methyl-phenyl)methyl]-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methylphenyl)methyl]-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropylcarbamoyl)-1-(methyl)-ethylcarbamoyl]ethoxy}-2-methylphenyl)methyl]-5-isopropyl-1H-pyrazole
データベース識別子
- PubChem CID
- 68535951
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 216 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 15
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 911
関連反応
2 件
化合物ノート
読み込み中…