기본 정보
- 표준 SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12- InChIKey
LQSNPVIQIPKOGP-OACYRQNASA-N- 분자식
- C21H20O12
- 평균 분자량
- 464.4 g/mol
- 단동위원소 질량
- 464.09547608
개요
hypolaetin-8-glucoside has been reported in Crotalaria sessiliflora, Sideritis pungens, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Hypolaetin-8-glucoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 현지명
- 하이포레이틴-8-글루코시드
- 영어명
- hypolaetin-8-glucoside
- 분자식
- C21H20O12
- 분자량
- 464.38
이름 및 동의어
Hypolaetin-8-glucoside27686-36-882IW02I7T8DTXSID701820442-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-, (9(2R,5S,6R))-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:147452DTXCID80104535CHEMBL40970788-Hydroxyluteolin 8-glucosideHypolaetin 8-O-beta-D-glucoside
이름 더 보기
하이포레이틴-8-글루코시드Hypolaetin 8-O-glucosideHipolaetin 8-β-D-glucosideHYPOLAETIN-8-BETA-D-GLUCOSIDE3',4',5,7-Tetrahydroxy-8-(β-D-glucopyranosyloxy)flavone8-[(β-D-Glucopyranosyl)oxy]-3',4',5,7-tetrahydroxyflavone[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy 4-oxo-4H-1-benzopyran-8-yl]β-D-glucopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-
UNII-82IW02I7T8SCHEMBL21752781LQSNPVIQIPKOGP-OACYRQNASA-NBDBM50253014LMPK12111372HYPOLAETIN 8-O-.BETA.-D-GLUCOSIDEHYPOLETIN 8-.BETA.-D-GLUCOPYRANOSIDE5,7,8,3',4'-Pentahydroxyflavone 8-glucoside
데이터베이스 식별자
- CAS
27686-36-8- PubChem CID
- 5318255
- DTXSID
DTXSID70182044- ChEMBL
CHEMBL4097078- UNII
- 82IW02I7T8
- Nikkaji
- J304.753I
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 745
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 녹는점
- 266 · 266-267 °C
- 끓는 점
- 865.1 · 865.1±65.0 °C(Predicted)
- 밀도
- 1.785 · 1.785±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.89 · 5.89±0.40(Predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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