基本情報
- CAS
850754-69-7- 標準SMILES
O=c1c(CO)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12- InChIKey
XTPXAOSAGWJNDB-VQIXPAPJSA-N- 分子式
- C22H22O12
- 平均分子量
- 478.4 g/mol
- 単同位体質量
- 478.11112613
概要
Ophioglonol 4'-O-beta-D-glucopyranoside is a homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum. It has a role as a metabolite and a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a homoflavonoid glycoside and a hydroxy homoflavonoid. It is functionally related to an ophioglonol.
名称と識別子
- 優先名称
- Ophioglonol 4'-O-Beta-D-Glucopyranoside
- IUPAC
- 5,7-dihydroxy-3-(hydroxymethyl)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
名称と別名
Ophioglonol 4'-O-beta-D-glucopyranosideCHEBI:67935850754-69-74-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside4-(5,7-dihydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl beta-D-glucopyranoside5,7-dihydroxy-3-(hydroxymethyl)-2-(3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-one5,7-dihydroxy-3-(hydroxymethyl)-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-oneRefChem:168372Ophioglonol 4'-O-b-D-glucopyranosideOphioglonol 4'-O-I2-D-glucopyranosideCHEMBL1773609DTXSID701291510
名称をさらに表示
Ophioglonol 4a(2)-O-I(2)-D-glucopyranosideQ271364094-[5,7-Dihydroxy-3-(hydroxymethyl)-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- -0.4
- 極性表面積
- 207 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 12
- 回転可能結合数
- 5
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 773
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