기본 정보
- CAS
56316-75-7- 표준 SMILES
O=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1- InChIKey
FMQQLXJREAGPHS-OAYLZIFXSA-N- 분자식
- C28H24O16
- 평균 분자량
- 616.5 g/mol
- 단동위원소 질량
- 616.10643467
개요
Quercetin 3-O-(6''-galloyl)-beta-D-glucopyranoside has been reported in Eugenia selloi, Triplaris cumingiana, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Quercetin 3-(6''-galloylglucoside)
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- 영어명
- Quercetin 3-O-(6''-galloyl)-β-D-glucopyranoside
- 분자식
- C28H24O16
- 분자량
- 616.48
이름 및 동의어
56316-75-7Quercetin 3-(6''-galloylglucoside)RefChem:1097719((2R,3S,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoateTellimosideQuercetin 3-O-(6''-galloyl)-beta-D-glucopyranosideQuercetin 3-O-(6''-O-galloyl)-|A-D-glucoside[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate((2R,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoateQuercetin 3-O-(6''-O-galloyl)-beta-D-glucosideCHEMBL499432orb1684283
이름 더 보기
Quercetin-3-O-(6''-galloyl)-β-D-glucosideQuercetin 3-O-(6''-O-galloyl)-β-D-glucosideQuercetin 3-O-β-D-(6-O- galloyl)glucopyranosideQuercetin 3-O-(6’’-galloyl)-β-D-glucopyranosideQuercetin 3-O-(6''-galloyl)-β-D-glucopyranoside4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]-
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 273 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,070
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1088.1 · 1088.1±65.0 °C(Predicted)
- 밀도
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.17 · 6.17±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
화학 및 산업
공급사35 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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