기본 정보
- CAS
47858-32-2- 표준 SMILES
COc1c(-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)c2c1=O- InChIKey
XEHNPVYZNPRTMA-GZKNRDGBSA-N- 분자식
- C28H32O17
- 평균 분자량
- 640.5 g/mol
- 단동위원소 질량
- 640.16394955
개요
3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside is a glycosyloxyflavone that is 3-O-methylquercetin attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from Ophioglossum pedunculosum. It has a role as a plant metabolite. It is a beta-D-glucoside, a monomethoxyflavone, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to a 3',4',5,7-tetrahydroxy-3-methoxyflavone.
이름 및 식별자
- 우선 이름
- 3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside
- IUPAC
- 5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 영어명
- 3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranoside
- 분자식
- C28H32O17
- 분자량
- 640.55
이름 및 동의어
47858-32-23-O-Methylquercetin 4',7-di-|A-D-glucopyranoside3-O-methylquercetin 7-O-beta-glucopyranosyl-4'-O-beta-D-glucopyranosideorb1941424CHEMBL1773610CHEBI:67938DTXSID401107180HY-N117933-O-METHYLQUERCETIN 7-O-BETA-D-GLUCOPYRANOSYL-4'-O-BETA-D-GLUCOPYRANOSIDECS-0851562G89049T83347
이름 더 보기
3-O-Methylquercetin 4',7-di-β-D-glucopyranoside3-O-Methylquercetin 7-O-β-D-glucopyranosyl-4′-O-β-D-glucopyranoside4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-methoxy-
3-O-Methylquercetin 4',7-di--D-glucopyranoside3-O-Methylquercetin 4',7-di-|?-D-glucopyranosideQ271364134-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside7-(I(2)-D-Glucopyranosyloxy)-2-[4-(I(2)-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 끓는 점
- 1018 · 1018.0±65.0 °C(Predicted)
- 밀도
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.91 · 5.91±0.40(Predicted)
화학 및 산업
공급사10 곳
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
四川汇海天成生物科技有限公司15982498737 18380486776 · [email protected]
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