기본 정보
- CAS
17670-06-3- 표준 SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
XCTGXGVGJYACEI-LCENJUANSA-O- 분자식
- C27H31O17+
- 평균 분자량
- 627.5 g/mol
- 단동위원소 질량
- 627.15612452
개요
Delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside is an anthocyanin cation consisting of delphinidin with two beta-D-glucosyl residues attached to the 3- and 5-hydroxy groups. It is a 5-hydroxyanthocyanin O-beta-D-glucoside, a beta-D-glucoside and an anthocyanin cation. It is functionally related to a delphinidin. It is a conjugate acid of a delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside betaine.
이름 및 식별자
- 우선 이름
- Delphinidin 3,5-diglucoside
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol
- 현지명
- 델핀
- 영어명
- DELPHIN
- 분자식
- C27H31ClO17
- 분자량
- 662.98
이름 및 동의어
Delphinidin 3,5-diglucosideDELPHINDelphinidin 3,5-O-diglucosideHyacinDelphoside?Aurobanin AC.I. Natural bluedelphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucosideCHEBI:55455(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium
이름 더 보기
델핀Delphinidin 3,5-diglucoside chlorideNatural blue 3DELPHIN CHLORIDEAwobanin A chlorideDELPHINIDIN 3,5-DI-O-GLUCOSIDEDelphinidin 3,5-Diglucoside (90%)
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(7-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl)oxyoxane-3,4,5-triol7-hydroxy-3,5-bis((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))-2-(3,4,5-trihydroxyphenyl)-1$l^(4)-chromen-1-yliumRefChem:131634Delphinidin 3-O-b-D-glucoside-5-O-b-D-glucosideDelphinidin 3-O-I2-D-glucoside-5-O-I2-D-glucoside17670-06-3Delphinidin-3,5-O-diglucosidedelphinidin-3,5-diglucoside
데이터베이스 식별자
- CAS
17670-06-3、47851-70-7- PubChem CID
- 10100906
- DTXSID
DTXSID901341527- ChEBI
CHEBI:55455- Nikkaji
- J238.030G
물성
구조 계산 물성
- 극성 표면적
- 281 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 1
- 복잡도
- 919
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
Melting Point202 - 203 °C
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- Soluble in methan
- 물리적 상태
- 가루
- 색상
- 어둡고 붉은색
- 주요 응용
- 음식 및 음료
- InChIKey
- HKHQPWJHAKAMGC-UHFFFAOYSA-N
- SMILES
- [Cl-].[o+]1c2c(c(cc(c2)O)OC5OC(C(C(C5O)O)O)CO)cc(c1c4cc(c(c(c4)O)O)O)OC3OC(C(C(C3O)O)O)CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
용도Delphinidin 3,5-diglucoside participates in antioxidant and anti-inflammatory activities of target anthocyanins di-glucosides isolated from Syzygium cumini pulp by high speed counter-current chromatography.
공급사46 곳
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