기본 정보
- CAS
142561-98-6- 표준 SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
RAHCBDLMLRVOBZ-KMLVFDMGSA-O- 분자식
- C32H39O20+
- 평균 분자량
- 743.6 g/mol
- 단동위원소 질량
- 743.20346863
개요
Cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) is a xylosylgalactoside and a trisaccharide derivative. It is functionally related to a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) betaine.
이름 및 식별자
- 우선 이름
- cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)
- IUPAC
- (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- Cyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
- 분자식
- C32H39O20+
- 분자량
- 743.64
이름 및 동의어
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside)142561-98-660029-67-6(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolCyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)2-(3,4-Dihydroxyphenyl)-3-[(O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosideAC1L9BFVC08612Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]CHEBI:27898DTXSID20331606
이름 더 보기
Cyanidin 3-O-glucopyranosyl-[3-xylopyranosyl-]-galactopyranoside chlorideCyanidin 3-glucopyranosyl-(1→6)-[3-xylopyranosyl-(1→2)]-galactopyranoside
LMPK12010099Q271033951-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3,4-Dihydroxyphenyl)-3-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-O-[|A-D-xylopyranosyl-(1 inverted exclamation marku2)]-|A-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside3-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium3-[(2-O-beta-D-Xylopyranosyl-6-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-1-benzopyrylium-5,7-diol
물성
구조 계산 물성
- 극성 표면적
- 319 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 52
- 형식 전하
- 1
- 복잡도
- 1,140
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사4 곳
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四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都草源康生物科技有限公司13438898246 13438898246 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
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