3-O-beta-D-Glucosyl-(1->6)-beta-D-glucosyl-7-O-alpha-L-rhamnosylkaempferol
基本情報
- CAS
173740-43-7- 標準SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
QFSDWLPMRWDFID-CSNYLUTCSA-N- 分子式
- C33H40O20
- 平均分子量
- 756.7 g/mol
- 単同位体質量
- 756.21129366
概要
Kaempferol 3-O-gentiobioside-7-O-rhamnoside is a glycosyloxyflavone that is kaempferol having gentiobiosyl and alpha-L-rhamnosyl residues attached at positions O-3 and O-7 respectively. It has a role as a plant metabolite. It is a gentiobioside, a polyphenol, an alpha-L-rhamnoside, a dihydroxyflavone, a glycosyloxyflavone and a disaccharide derivative. It is functionally related to a kaempferol.
名称と識別子
- 優先名称
- 3-O-beta-D-Glucosyl-(1->6)-beta-D-glucosyl-7-O-alpha-L-rhamnosylkaempferol
- IUPAC
- 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
名称と別名
DTXSID701175980173740-43-7RefChem:1068369DTXCID4016073543-O-beta-D-Glucosyl-(1->6)-beta-D-glucosyl-7-O-alpha-L-rhamnosylkaempferolKaempferol 3-gentiobioside-7-rhamnoside7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosideKaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnosideSCHEMBL30106662CHEBI:133218Kaempferol 3-coumaroyl-triglucosideLMPK12111762
名称をさらに表示
kaempferol 3-O-gentiobioside-7-O-rhamnosidekaempferol 3-O-glucosyl(1->6)glucoside-7-O-rhamnosidekaempferol-3-O-beta-gentiobioside-7-O-alpha-L-rhamnosidekaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside3-O-I(2)-D-Glucosyl-(1a6)-I(2)-D-glucosyl-7-O-I+/--L-rhamnosylkaempferol5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- -2.7
- 極性表面積
- 324 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 20
- 回転可能結合数
- 9
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,280
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
関連反応
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化合物ノート
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