기본 정보
- CAS
202338-79-2- 표준 SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
YTMOEUVNNYCFEO-WYHZMSGGSA-O- 분자식
- C33H41O19+
- 평균 분자량
- 741.7 g/mol
- 단동위원소 질량
- 741.22420407
개요
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside is an anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(16)-beta-D-glucosyl] residue attached at the 3-hydroxy position and a beta-D-glucosyl residue at the 5-hydroxy position. It is a beta-D-glucoside, a rutinoside, an anthocyanin cation and a disaccharide derivative. It is a conjugate acid of a pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine.
이름 및 식별자
- 우선 이름
- Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
- IUPAC
- (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
- 영어명
- pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
- 분자식
- C33H41O19+
- 분자량
- 741.66724
이름 및 동의어
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside202338-79-2Pelargonidin 3-rutinoside-5-glucopyranoside(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolPelargonidin 3-rutinoside-5-glucosideSCHEMBL41939124CHEBI:31969DTXSID90332140LMPK12010027Q271147412-(4-Hydroxyphenyl)-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-[(beta-D-glucopyranosyl)oxy]-7-hydroxy-1-benzopyrylium5-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
이름 더 보기
5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
물성
구조 계산 물성
- 극성 표면적
- 299 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 52
- 형식 전하
- 1
- 복잡도
- 1,130
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
화학 및 산업
공급사1 곳
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
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