3''-O-L-Rhamnopyranosylastragalin
기본 정보
- CAS
28447-29-2- 표준 SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
YFPYXTNSQOUHPS-NIILUQFKSA-N- 분자식
- C27H30O15
- 평균 분자량
- 594.5 g/mol
- 단동위원소 질량
- 594.15847025
개요
Kaempferol-3-glucoside-3''-rhamnoside is a glycoside and a member of flavonoids.
이름 및 식별자
- 우선 이름
- 3''-O-L-Rhamnopyranosylastragalin
- IUPAC
- 3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
- 영어명
- 4H-1-Benzopyran-4-one, 3-[[3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- 분자식
- C27H30O15
- 분자량
- 594.52
이름 및 동의어
3''-O-L-RhamnopyranosylastragalinDTXSID4013460393-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one3-((2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneRefChem:1065379DTXCID101774764Kaempferol 3-rungioside28447-29-23-(((2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneKaem-3-Glc-3''-RhaMEGxp0_001976orb1991615
이름 더 보기
4H-1-Benzopyran-4-one, 3-[[3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
SCHEMBL30916855ACon1_000218CHEBI:139411LMPK12111733AKOS040735142kaempferol 3-glucoside-3''-rhamnosideKaempferol-3-Glucoside-3''-RhamnosideT125125
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 985
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 962 · 962.0±65.0 °C(Predicted)
- 밀도
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.2 · 6.20±0.40(Predicted)
관련 반응
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