Phloretin 3',5'-Di-C-glucoside
기본 정보
- CAS
357401-40-2- 표준 SMILES
O=C(CCc1ccc(O)cc1)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O- InChIKey
WAWHTTXPRUWFCZ-DBGLWBBTSA-N- 분자식
- C27H34O15
- 평균 분자량
- 598.5 g/mol
개요
3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3,5-bis(2S,3R,4R,5S,6R)[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one is a member of chalcones.
이름 및 식별자
- 우선 이름
- Phloretin 3',5'-Di-C-glucoside
- IUPAC
- 3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
- 영어명
- 1-Propanone, 1-(3,5-di-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-
- 분자식
- C27H34O15
- 분자량
- 598.55
이름 및 동의어
Phloretin 3',5'-Di-C-glucoside357401-40-23-(4-Hydroxyphenyl)-1-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-bis((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)phenyl)propan-1-oneRefChem:10950683-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-bis((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)phenyl)propan-1-one3',5'-di-C-glucosylphloretinMEGxp0_001019orb1991749phloretin-3',5'-di-glucosideSCHEMBL26565367ACon1_001169
이름 더 보기
1-Propanone, 1-(3,5-di-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-
CHEBI:139415phloretin-3',5'-di-C-glucosideLMPK121205153',5'-di-C-beta-D-glucosylphloretinAKOS040735010FS-8390NCGC00169611-01T124963
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 278 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 836
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
물리화학적 성질
- 끓는 점
- 803 · 803.0±65.0 °C(Predicted)
- 밀도
- 1.683 · 1.683±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.83 · 6.83±0.50(Predicted)
관련 반응
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