폴리갈락산톤XI
Polygalaxanthone XI
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기본 정보
- CAS
857859-82-6- 표준 SMILES
COc1cc2c(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@](O)(CO)[C@H]4O)c(O)cc3oc2cc1O- InChIKey
GTRLQDJSEMBQNI-LYHRZCPZSA-N- 분자식
- C25H28O15
- 평균 분자량
- 568.5 g/mol
개요
Polygalaxanthone XI has been reported in Polygala tenuifolia with data available.
이름 및 식별자
- 우선 이름
- Polygalaxanthone XI
- IUPAC
- 2-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
- 현지명
- 폴리갈락산톤XI
- 영어명
- Polygalaxanthone XI
- 분자식
- C25H28O15
- 분자량
- 568.48
이름 및 동의어
857859-82-62-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one2-((2S,3R,4S,5S,6R)-3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)-1,3,6-trihydroxy-7-methoxyxanthen-9-oneRefChem:1751482-((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-oneorb1302051SCHEMBL29453022HY-N6803AKOS037515413EBC-6173332-[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-oneDA-56963
이름 더 보기
폴리갈락산톤XIPolygalaxanthone XIPolygalaxanthone XI, 10 mM in DMSOPolygalaxanthone XI,inhibit,Inhibitor9H-Xanthen-9-one, 2-(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)-1,3,6-trihydroxy-7-methoxy-
MS-30277CS-0100150T5147E885782-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,3,6-trihydroxy-7-methoxy-xanthen-9-one
물성
구조 계산 물성보충 중
- XLogP
- -1.3
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 907
물리화학적 성질
- 끓는 점
- 977.4 · 977.4±65.0 °C(Predicted)
- 밀도
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.05 · 6.05±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
관련 반응
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