(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside
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기본 정보
- CAS
136087-29-1- 표준 SMILES
COc1ccc([C@@H]2COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3C2)c(O)c1OC- InChIKey
SXHOGLPTLQBGDO-ZVSSUSCDSA-N- 분자식
- C23H28O10
- 평균 분자량
- 464.5 g/mol
개요
(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside is a monosaccharide derivative that is (R)-isoflavan substituted by a hydroxy group substituted at position 2', methoxy groups at positions 3' and 4' and a beta-D-glucopyranosyloxy group at position 7 respectively. It has a role as a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan.
이름 및 식별자
- 우선 이름
- (3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- Astraisoflavan-7--O--β-D-glucoside
- 분자식
- C23H28O10
- 분자량
- 464.46
이름 및 동의어
(3R)-7,2'-dihydroxy-3',4'-dimethoxyisoflavan-7-O-beta-D-glucopyranoside(2S,3R,4S,5S,6R)-2-[[(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolCHEBI:86334(2S,3R,4S,5S,6R)-2-(((3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:1050250136087-29-1Isomucronulatol 7-O-glucosideIsomucronulatol 7-O-beta-glucosideAstraisoflavan-7-O-(2S,3R,4S,5S,6R)-2-(((R)-3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolC23H28O10isomucronulatol 7-O-beta-D-glucoside
이름 더 보기
Isomucronulatol 7-O-β-glucosideIsomucronulatol 7-O-β-D-glucosideAstraisoflavan-7--O--β-D-glucosideIsomucronulatol 7-O-glucoside, 10 mM in DMSO3',4'-Dimethoxy-2'-hydroxyisoflavan 7-O-β-D- glucopyranoside2'-Dihydroxy-3',4'-dimethoxyisoflavan-7-O-β-D-glucopyranosideinhibit,Inhibitor,IL-12p40,Isomucronulatol 7Oglucoside,Isomucronulatol 7 O glucoside
물성
구조 계산 물성보충 중
- XLogP
- 1.1
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 622
물리화학적 성질
- 끓는 점
- 641.5 · 641.5±55.0 °C(Predicted)
- 밀도
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.48 · 9.48±0.45(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
관련 반응
0건
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