基本情報
- CAS
23363-08-8- 標準SMILES
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1- InChIKey
LYGRISUQIZNHGM-IVABAYMNSA-N- 分子式
- C20H20O14
- 平均分子量
- 484.4 g/mol
- 単同位体質量
- 484.08530531
概要
1,6-bis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having two galloyl groups in the 1- and 6-positions. It has a role as a metabolite. It is a galloyl beta-D-glucose and a gallate ester.
名称と識別子
- 優先名称
- 1,6-bis-O-galloyl-beta-D-glucose
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- 英語名
- b-D-Glucopyranose,1,6-bis(3,4,5-trihydroxybenzoate)
- 分子式
- C20H20O14
- 分子量
- 484.3644
名称と別名
1,6-bis-O-galloyl-beta-D-glucoseCHEBI:157231,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoseRefChem:1053491((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate23363-08-81,6-Di-O-galloyl-beta-D-glucose1,6-Digalloyl glucose1-O,6-O-Digalloyl-beta-D-glucoseCHEMBL5222511,6-Di-O-galloyl-|A-D-glucose1,6-Digalloyl-?-D-glucose
名称をさらに表示
1,6-Digalloyl-β-D-glucose1,6-Di-O-galloyl-b-D-glucopyranose1,6-di-O-galloyl-β-D-glucopyranose1,6-Di-O-galloyl-beta-D-glucopyranoseb-D-Glucopyranose,1,6-bis(3,4,5-trihydroxybenzoate)
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(((3,4,5-trihydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl 3,4,5-trihydroxybenzoatedigalloyl glucosedigalloyl hexosidedigalloyl-hexosidedigalloyl glucosidedigalloyl-glucosidegalloyl-di-glucosidedigalloylglucopyranose
データベース識別子
- CAS
23363-08-8- PubChem CID
- 440221
- DTXSID
DTXSID301045329- ChEMBL
CHEMBL522251- ChEBI
CHEBI:15723- Nikkaji
- J417.532H
物性
構造計算による物性
- XLogP
- -0.8
- 極性表面積
- 244 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 14
- 回転可能結合数
- 7
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 695
化学と産業
応用分野
使用1,6-Digalloyl-β-D-glucose, is naturally occuring in Camellia sinensis (White Tea) having pharmacological activity.
サプライヤー10 社
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
广州麦克斯药物研究有限公司13405898415 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [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…