[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
기본 정보
- CAS
1575672-58-0- 표준 SMILES
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O- InChIKey
SHRUKDVTMUBNTL-ONVVNEJYSA-N- 분자식
- C42H46O23
- 평균 분자량
- 918.8 g/mol
이름 및 식별자
- 우선 이름
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
- 영어명
- 1575672-58-0
- 분자식
- C42H46O23
- 분자량
- 918.81
이름 및 동의어
1575672-58-0orb2893446Quercetin 3-O-6'''-O-(Z)-coumaroyl-β-D-giucopyranosyl-(1→2)-α-L-rhamnosyl-7-O- β-D-glucopyranosideQuercetin 3-O-6'''-O-(Z)-coumaroyl-β-D-giucopyranosyl-(1→2)-α-L-rhamnosyl-7-O- β-D-glucopyranoside3-[[6-Deoxy-2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-α-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
데이터베이스 식별자
- CAS
1575672-58-0
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 371 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 끓는 점
- 1240.6 · 1240.6±65.0 °C(Predicted)
- 밀도
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.77 · 5.77±0.40(Predicted)
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