Hydrangenoside C
基本情報
- CAS
74565-25-6- 標準SMILES
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1CC(=O)CC(CCc2ccc(O)cc2)O1- InChIKey
GGNFGJZLCXTJLH-UHFFFAOYSA-N- 分子式
- C29H38O12
- 平均分子量
- 578.6 g/mol
- 単同位体質量
- 578.23632664
概要
Hydrangenoside C has been reported in Hydrangea macrophylla and Hydrangea scandens with data available.
名称と識別子
- 優先名称
- Hydrangenoside C
- IUPAC
- methyl 3-ethenyl-4-[[6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
名称と別名
HYDRANGENOSIDE Cmethyl 3-ethenyl-4-[[6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylateDTXSID8090481574565-25-6Methyl (2R,3S,4S)-3-ethenyl-4-(((2S,6S)-6-(2-(4-hydroxyphenyl)ethyl)-4-oxooxan-2-yl)methyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylic acidMethyl (2R,3S,4S)-3-ethenyl-4-{[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl]methyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidmethyl 3-ethenyl-4-((6-(2-(4-hydroxyphenyl)ethyl)-4-oxooxan-2-yl)methyl)-2-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4-dihydro-2H-pyran-5-carboxylateRefChem:146985DTXCID101333930Compound NP-004572orb3172488CHEMBL1980443
名称をさらに表示
NSC360071AKOS040739791NSC-360034NSC-360071NCGC00385509-01T130735
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 181 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 12
- 回転可能結合数
- 11
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 931
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…