Regaloside C
기본 정보
- CAS
117591-85-2- 표준 SMILES
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
DVLNCWXFKKSRQB-NSVVQGBUSA-N- 분자식
- C18H24O11
- 평균 분자량
- 416.4 g/mol
- 단동위원소 질량
- 416.13186158
개요
Regaloside C has been reported in Lilium pardalinum, Lilium henryi, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Regaloside C
- IUPAC
- [(2S)-2-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- 영어명
- [(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]β-D-glucopyranoside
- 분자식
- C18H24O11
- 분자량
- 416.38
이름 및 동의어
Regaloside C117591-85-2DTXSID001347728[(2S)-2-Hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate((2S)-2-hydroxy-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropyl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRefChem:1097967DTXCID401776464(S)-2-Hydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propyl (E)-3-(3,4-dihydroxyphenyl)acrylateorb1297041[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]|A-D-glucopyranosideHY-N7627TN6490
이름 더 보기
Regaloside C, 10 mM in DMSO[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]β-D-glucopyranoside[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]β-D-glucopyranosideβ-D-Glucopyranoside, (2S)-3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-2-hydroxypropyl[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]β-D-glucopyranoside USP/EP/BPanti-inflammatory,inhibit,Cardiovascular disease,H9C2,anti-depression,glycoside,diabetic cardiomyopathy,Regaloside C,anti-oxidant,Inhibitor,ischemia reperfusion injury,myocardial hypertrophy,anti-tumor
AKOS040763506EBC-617535(2S)-2-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]beta-D-glucopyranosideMS-27235CS-0134822E80763
데이터베이스 식별자
- CAS
117591-85-2- PubChem CID
- 14135348
- DTXSID
DTXSID001347728- Nikkaji
- J261.883D
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 542
물리화학적 성질
- 끓는 점
- 777.8 · 777.8±60.0 °C(Predicted)
- 밀도
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.32 · 9.32±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
- InChIKey
- DVLNCWXFKKSRQB-NPBXPEQKNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C[C@H](O)COC(=O)/C=C/C1C=CC(O)=C(O)C=1 |&1:1,2,3,5,7,13,r|
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