기본 정보
- CAS
480-69-3- 표준 SMILES
O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21- InChIKey
ZZERRGHHDDWLEN-YRDFTBLNSA-N- 분자식
- C21H20O11
- 평균 분자량
- 448.4 g/mol
- 단동위원소 질량
- 448.10056145
개요
Cernuoside has been reported in Ipomoea nil with data available.
이름 및 식별자
- 우선 이름
- Cernuoside
- IUPAC
- (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
- 현지명
- 세르누오사이드
- 영어명
- Cernuoside
- 분자식
- C21H20O11
- 분자량
- 448.38
이름 및 동의어
Cernuoside480-69-3(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one(Z)-2-((3,4-Dihydroxyphenyl)methylene)-4-(beta-D-glucopyranosyloxy)-6-hydroxy-3(2H)-benzofuranone3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methylene)-4-(beta-D-glucopyranosyloxy)-6-hydroxy-, (Z)-(2Z)-2-((3,4-dihydroxyphenyl)methylidene)-6-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one2-((3,4-dihydroxyphenyl)methylidene)-6-hydroxy-4-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-oneRefChem:124546Compound NP-025055DTXSID901318394AKOS040736885
이름 더 보기
세르누오사이드2-[(Z)-(3,4-Dihydroxyphenyl)methylene]-4-(β-D-glucopyranosyloxy)-6-hydroxy-3(2H)-benzofuranone3(2H)-Benzofuranone, 2-[(E)-(3,4-dihydroxyphenyl)methylene]-4-(β-D-glucopyranosyloxy)-6-hydroxy-
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 714
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