Ternstroside D
기본 정보
- CAS
914649-26-6- 표준 SMILES
O=C(Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
UYICXCOMJPCYON-MIUGBVLSSA-N- 분자식
- C22H26O11
- 평균 분자량
- 466.4 g/mol
- 단동위원소 질량
- 466.14751164
개요
Ternstroside D is a beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside, a carboxylic ester, a member of catechols, a monosaccharide derivative and a phenylethanoid.
이름 및 식별자
- 우선 이름
- Ternstroside D
- IUPAC
- [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(3,4-dihydroxyphenyl)acetate
이름 및 동의어
TERNSTROSIDE D2-(3,4-dihydroxyphenyl)ethyl 6-O-[(3,4-dihydroxyphenyl)acetyl]-beta-D-glucopyranosideCHEMBL462809CHEBI:66206DTXSID501131390NSC741750NSC-741750[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(3,4-dihydroxyphenyl)acetate914649-26-6Q271347422-(3,4-dihydroxyphenyl)ethyl-6-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranosideI(2)-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-(3,4-dihydroxybenzeneacetate)
데이터베이스 식별자
- CAS
914649-26-6- PubChem CID
- 16091522
- DTXSID
DTXSID501131390- ChEMBL
CHEMBL462809- ChEBI
CHEBI:66206- Nikkaji
- J2.396.261F
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 619
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