기본 정보
- CAS
21133-53-9- 표준 SMILES
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O- InChIKey
GPSQZOFVCVOOIE-QWVHOXPHSA-N- 분자식
- C27H30O14
- 평균 분자량
- 578.5 g/mol
- 단동위원소 질량
- 578.16355563
개요
Glucofrangulin A is a monohydroxyanthraquinone.
이름 및 식별자
- 우선 이름
- Glucofrangulin A
- IUPAC
- 1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
- 영어명
- 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone
- 분자식
- C27H30O14
- 분자량
- 578.52
이름 및 동의어
Glucofrangulin A21133-53-9MB7V137HOF1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone1-hydroxy-3-methyl-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyanthracene-9,10-dioneRefChem:143601244-234-3GLUCOFRAGULIN AUNII-MB7V137HOFGLUCOFRANGULIN A [MI]SCHEMBL1426728
이름 더 보기
Glucofrangulin A-RM3-(α-L-Rhamnopyranosyloxy)-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methyl-9,10-anthracenedione
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 233 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 964
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- solid
- InChIKey
- GPSQZOFVCVOOIE-QWVHOXPHSA-N
- SMILES
- O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2c3c(cc(c2)O[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)C(=O)c4c(c(cc(c4)C)O)C3=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사7 곳
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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