기본 정보
- CAS
61358-52-9- 표준 SMILES
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H]2C)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
KXOPSQZLBRPJGX-KEBUVGJQSA-N- 분자식
- C29H32O16
- 평균 분자량
- 636.6 g/mol
- 단동위원소 질량
- 636.16903493
개요
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate has been reported in Rosa multiflora, Rhamnus leptophylla, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Multiflorin A
- IUPAC
- [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
- 영어명
- 4H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
- 분자식
- C29H32O16
- 분자량
- 636.56
이름 및 동의어
Multiflorin A1350028-90-8Multiflorin A (Prunuside A)[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate61358-52-9orb1943024SCHEMBL8221364DTXSID90976886HY-N12326LMPK12111899DA-55766CS-0897797
이름 더 보기
Prunuside AGossypetin Impurity 14H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
T817413-[4-O-(6-O-Acetyl-beta-D-glucopyranosyl)-alpha-L-rhamnopyranosyloxy]-4',5,7-trihydroxyflavone5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranoside5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 4-O-(6-O-acetylhexopyranosyl)-6-deoxyhexopyranoside
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 251 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 931.2 · 931.2±65.0 °C(Predicted)
- 밀도
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.2 · 6.20±0.40(Predicted)
화학 및 산업
공급사16 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [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]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Mensura Group Limited18780014153 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
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