Peonidin 3-ferulyldiglucoside-5-glucoside
기본 정보
- 표준 SMILES
COc1cc(/C=C/C(=O)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)c(OC)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O- InChIKey
YJBRZIKOXLESQY-PWXSKXFRSA-O- 분자식
- C44H51O24+
- 평균 분자량
- 963.9 g/mol
- 단동위원소 질량
- 963.27647893
개요
YJBRZIKOXLESQY-PWXSKXFRSA-O has been reported in Solanum tuberosum with data available.
이름 및 식별자
- 우선 이름
- Peonidin 3-ferulyldiglucoside-5-glucoside
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
이름 및 동의어
Peonidin 3-ferulyldiglucoside-5-glucosideLMPK120102543-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium863560-74-1
물성
구조 계산 물성
- 극성 표면적
- 364 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 68
- 형식 전하
- 1
- 복잡도
- 1,610
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
관련 반응
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