기본 정보
- CAS
116329-55-6- 표준 SMILES
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)cc1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1- InChIKey
JLFHSPGTENNODT-WLDZFSAMSA-N- 분자식
- C44H34O21
- 평균 분자량
- 898.7 g/mol
- 단동위원소 질량
- 898.15925809
개요
Theasinensin F is a catechin.
이름 및 식별자
- 우선 이름
- Theasinensin F
- IUPAC
- [(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
이름 및 동의어
Theasinensin F[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2,3,4-trihydroxyphenyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate((2R,3R)-2-(2-(6-((2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl)-2,3,4-trihydroxyphenyl)-4,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl) 3,4,5-trihydroxybenzoate(2R,3R)-2-(6'-((2S,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl)-2',3',4,4',5-pentahydroxy-(1,1'-biphenyl)-2-yl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid(2R,3R)-2-{6'-[(2S,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2',3',4,4',5-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acidRefChem:189141116329-55-6CHEMBL159692SCHEMBL7432622CHEBI:136612DTXSID701336451(4,4',5,5',6-Pentahydroxybiphenyl-2,2'-diyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
이름 더 보기
[(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,3,4-trihydroxy-phenyl]-4,5-dihydroxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 375 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,620
화학 및 산업
약리 정보
Cellular LocationsMembrane
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