기본 정보
- CAS
55481-91-9- 표준 SMILES
COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O- InChIKey
VLDJCNQOIAEWHD-OBQKRMBVSA-N- 분자식
- C34H42O21
- 평균 분자량
- 786.7 g/mol
- 단동위원소 질량
- 786.22185834
개요
5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one has been reported in Coleogyne ramosissima with data available.
이름 및 식별자
- 우선 이름
- 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one
- IUPAC
- 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- 영어명
- Isorhamnetin-3-O-rutinoside-7-O-glucoside
- 분자식
- C34H42O21
- 분자량
- 786.69
이름 및 동의어
55481-91-9Isorhamnetin-3-O-rutinoside-7-O-glucoside5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy)-1-benzopyran-4-one4H-1-BEnzopyran-4-one, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-Isorhamnetin 3-rutinoside-7-glucoside5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-1-benzopyran-4-oneorb2299295auriculatin 4'A</=-O-glucosideDTXSID30970828LMPK12112355TN7477FS-8555
이름 더 보기
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 334 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,340
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1117.2 · 1117.2±65.0 °C(Predicted)
- 밀도
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.77 · 5.77±0.40(Predicted)
화학 및 산업
공급사9 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]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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