기본 정보
- CAS
132548-17-5- 표준 SMILES
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
QLGDRYVFMZAWDU-KCRRSQHJSA-O- 분자식
- C33H41O22+
- 평균 분자량
- 789.7 g/mol
- 단동위원소 질량
- 789.20894793
개요
Delphinidin 3,3',5'-tri-O-glucoside is an anthocyanidin glycoside.
이름 및 식별자
- 우선 이름
- Delphinidin 3,3',5'-tri-O-glucoside
- IUPAC
- (2S,3R,4S,5S,6R)-2-[5-[5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
Delphinidin 3,3',5'-tri-O-glucoside132548-17-5(2S,3R,4S,5S,6R)-2-[5-[5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-2-yl]-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolAC1L9BH7C08640CHEBI:4383DTXSID401110466Q27106364(2S,3R,4S,5S,6R)-2-[5-[5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-2-yl]-2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol2-[3,5-Bis(I(2)-D-glucopyranosyloxy)-4-hydroxyphenyl]-3-(I(2)-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium
데이터베이스 식별자
- CAS
132548-17-5- PubChem CID
- 441689
- DTXSID
DTXSID401110466- ChEBI
CHEBI:4383- Nikkaji
- J2.136.379K
물성
구조 계산 물성
- 극성 표면적
- 360 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 1
- 복잡도
- 1,170
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