Quercetin 3,7,4'-triglucoside
기본 정보
- CAS
133563-23-2- 표준 SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12- InChIKey
JWSWVKOHVSHWQA-GZIDCZEMSA-N- 분자식
- C33H40O22
- 평균 분자량
- 788.7 g/mol
- 단동위원소 질량
- 788.2011229
개요
Quercetin 3,4',7-triglucoside has been reported in Allium cepa with data available.
이름 및 식별자
- 우선 이름
- Quercetin 3,7,4'-triglucoside
- IUPAC
- 5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
이름 및 동의어
Quercetin 3,7,4'-triglucoside133563-23-25-hydroxy-2-(3-hydroxy-4-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)-3-((2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7-((2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one5-hydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneRefChem:178081DTXSID301307711Quercetin 3,7,4a(2)-triglucosideLMPK121121354-[3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside
데이터베이스 식별자
- CAS
133563-23-2- PubChem CID
- 101599893
- DTXSID
DTXSID301307711- Nikkaji
- J389.838E
물성
구조 계산 물성
- XLogP
- -3.2
- 극성 표면적
- 365 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,340
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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