基本情報
- CAS
142561-98-6- 標準SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RAHCBDLMLRVOBZ-KMLVFDMGSA-O- 分子式
- C32H39O20+
- 平均分子量
- 743.6 g/mol
- 単同位体質量
- 743.20346863
概要
Cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is a xylosylgalactoside and a trisaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine.
名称と識別子
- 優先名称
- cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 英語名
- Cyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
- 分子式
- C32H39O20+
- 分子量
- 743.64
名称と別名
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)142561-98-660029-67-6(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolCyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosideAC1L9BFVC08612Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]CHEBI:27898DTXSID20331606
名称をさらに表示
Cyanidin 3-O-glucopyranosyl-[3-xylopyranosyl-]-galactopyranoside chlorideCyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
LMPK12010099Q271033951-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3,4-Dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside3-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium3-[(2-O-beta-D-Xylopyranosyl-6-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol
物性
構造計算による物性
- 極性表面積
- 319 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
- 52
- 形式電荷
- 1
- 複雑度
- 1,140
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
サプライヤー4 社
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都草源康生物科技有限公司13438898246 13438898246 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [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…