Quercetin 3,7-diglucoside
기본 정보
- CAS
6892-74-6- 표준 SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12- InChIKey
BNSCASRSSGJHQH-DEFKTLOSSA-N- 분자식
- C27H30O17
- 평균 분자량
- 626.5 g/mol
- 단동위원소 질량
- 626.14829948
개요
Quercetin 3,7-di-O-beta-D-glucoside is a quercetin O-glucoside that is quercetin with two beta-D-glucosyl residues attached at positions 3 and 7. It has a role as a plant metabolite. It is a beta-D-glucoside, a polyphenol, a trihydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside.
이름 및 식별자
- 우선 이름
- Quercetin 3,7-diglucoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
- 영어명
- 3,7-Diglucosylquercetin
- 분자식
- C27H30O17
- 분자량
- 626.52
이름 및 동의어
Quercetin 3,7-diglucoside6892-74-63,7-DiglucosylquercetinUNII-S2L05XBF3AS2L05XBF3AQuercetin-3,7-O-beta-diglucopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-CHEBI:131497DTXSID90218990Flavone, 3,3',4',5,7-pentahydroxy-, 3,7-di-beta-D-glucopyranosidequercetin 3,7-di-O-beta-D-glucoside2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranoside
이름 더 보기
quercetin 3,7-O-β-D-diglucosideQuercetin-3,7-O-diglucopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(β-D-glucopyranosyloxy)-5-hydroxy-
RefChem:45729DTXCID40141481quercetin 3,7-O-diglucoside2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-onequercetin 3,7-di-O-glucosideQurcetin-3,7-diglucosidequercetin-3,7-O-diglucosideCHEMBL591113
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 286 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,040
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 녹는점
- 181 · 181-186 °C
- 끓는 점
- 1049.9 · 1049.9±65.0 °C(Predicted)
- 밀도
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 5.77 · 5.77±0.40(Predicted)
- 색상
- Light yellow to yellow
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