기본 정보
- CAS
51371-34-7- 표준 SMILES
N#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1- InChIKey
XUCIJNAGGSZNQT-SWRVSKMJSA-N- 분자식
- C20H27NO11
- 평균 분자량
- 457.4 g/mol
- 단동위원소 질량
- 457.15841068
개요
Amygdalin is a cyanogenic glycoside, a gentiobioside and a disaccharide derivative. It has a role as a plant metabolite. It is functionally related to a prunasin.
이름 및 식별자
- 우선 이름
- Amygdaloside
- IUPAC
- 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
이름 및 동의어
Amygdaloside2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile96420-61-0C20H27NO112-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrileD-Amygdalin hydrateDL-Amygdalin2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrileD(-)-AmygdalinMFCD00866428Apricot Kernel PowderSpectrum_001192
이름 더 보기
Spectrum2_000904Spectrum3_001534Spectrum4_001750Spectrum5_000580BSPBio_002948KBioGR_002200KBioSS_001672DivK1c_000106
데이터베이스 식별자
- CAS
51371-34-7
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 638
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