Osmanthuside B
기본 정보
- CAS
94492-23-6- 표준 SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)cc3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
PRTREKIVGSNQRM-DQHNYDBYSA-N- 분자식
- C29H36O13
- 평균 분자량
- 592.6 g/mol
- 단동위원소 질량
- 592.2155912
개요
Osmanthuside B is a cinnamate ester.
이름 및 식별자
- 우선 이름
- Osmanthuside B
- IUPAC
- [(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
- 영어명
- OSMANTHUSIDEB
- 분자식
- C29H36O13
- 분자량
- 592.59
이름 및 동의어
osmanthuside B94492-23-6[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate((2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-(2-(4-hydroxyphenyl)ethoxy)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl) (E)-3-(4-hydroxyphenyl)prop-2-enoateRefChem:168674Ligupurpuroside D(2R,3R,4R,5R,6R)-5-Hydroxy-2-(hydroxymethyl)-6-(4-hydroxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylateCHEMBL448999orb2277471SCHEMBL30943553SCHEMBL30943554CHEBI:168050
이름 더 보기
OSMANTHUSIDEBβ-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-, 4-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]
DTXSID801317181HY-N12361DA-56497CS-0899016T80009|A-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 3-O-(6-deoxy-|A-L-mannopyranosyl)-, 4-[(2E)-3-(4-hydroxyphenyl)-2-propenoate]2-(4-Hydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 856
물리화학적 성질
- 끓는 점
- 836.9 · 836.9±65.0 °C(Predicted)
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.67 · 9.67±0.26(Predicted)
- 물리적 상태
- Solid
- 색상
- White to light yellow
관련 반응
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