기본 정보
- CAS
47684-27-5- 표준 SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
ABVCUBUIXWJYSE-GQUPQBGVSA-O- 분자식
- C21H21O10+
- 평균 분자량
- 433.4 g/mol
- 단동위원소 질량
- 433.11347186
개요
Pelargonidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of pelargonidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a plant metabolite. It is a beta-D-glucoside and an anthocyanidin glycoside. It is functionally related to a pelargonidin. It is a conjugate acid of a pelargonidin 3-O-beta-D-glucoside betaine.
이름 및 식별자
- 우선 이름
- Pelargonidin 3-O-glucoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
Pelargonidin 3-O-glucosidePelargonidin 3-glucoside ionPelargonidin 3-glucoside cationW623YHH61A47684-27-5Pelargonidin 3-o-beta-glucopyranosideDTXSID2013360821-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-RefChem:1094426DTXCID601368352UNII-W623YHH61ACallistephin
이름 더 보기
pelargonidin 3-O-beta-D-glucosidepelargonidin-3-O-glucoside3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloridePelargonidin 3-O-glucoside (chloride)pelagonidin-glucosidepelargonidin-glucoside
데이터베이스 식별자
- CAS
47684-27-5- PubChem CID
- 443648
- DTXSID
DTXSID201336082- ChEBI
CHEBI:31967- UNII
- W623YHH61A
- Nikkaji
- J237.946E
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 1
- 복잡도
- 585
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
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