기본 정보
- CAS
80366-14-9- 표준 SMILES
COc1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccccc3)oc12- InChIKey
DIRSNBJJSCNRKL-DRASZATQSA-N- 분자식
- C22H22O10
- 평균 분자량
- 446.4 g/mol
- 단동위원소 질량
- 446.12129689
개요
4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl- has been reported in Andrographis paniculata with data available.
이름 및 식별자
- 우선 이름
- 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-
- IUPAC
- 7-hydroxy-8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 영어명
- 4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methox y-2-phenyl-
- 분자식
- C22H22O10
- 분자량
- 446.4
이름 및 동의어
80366-14-94H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-DTXSID802302877-hydroxy-8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one7-hydroxy-8-methoxy-2-phenyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:100679DTXCID80152778Wogonin 5-glucosidewogonin-5-O-glucosewogonin 5-O-beta-D-glucosidewogonin 5-O-beta-D-glucopyranosideLMPK12111321
이름 더 보기
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-4H-1-Benzopyran-4-one, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methox y-2-phenyl-
4H-1-Benzopyran-4-one,5-(beta-D-glucopyranosyloxy)-7-hydroxy-8-methoxy-2-phenyl-7-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-5-yl beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 692
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 793.4 · 793.4±60.0 °C(Predicted)
- 밀도
- 1.545 · 1.545±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.43 · 6.43±0.40(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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