기본 정보
- CAS
120181-07-9- 표준 SMILES
Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O- InChIKey
SOWISUOFXLRAML-VULFOYAMSA-N- 분자식
- C33H40O19
- 평균 분자량
- 740.7 g/mol
- 단동위원소 질량
- 740.21637904
개요
Chrysophanol triglucoside has been reported in Senna obtusifolia and Senna tora with data available.
이름 및 식별자
- 우선 이름
- Chrysophanol triglucoside
- IUPAC
- 1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
- 영어명
- Chrysophanol triglucoside
- 분자식
- C33H40O19
- 분자량
- 740.66
이름 및 동의어
Chrysophanol triglucoside120181-07-91-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione1-[(O-beta-D-Glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedioneorb1691905DTXSID401104805HY-N7599AKOS040756540DA-51887CS-0134743D85142T38587
이름 더 보기
Chrysophanol 1-O-β-D-Glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranoside9,10-Anthracenedione, 1-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-
1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-8-hydroxy-3-methyl-anthracene-9,10-dione1-[(O-|A-D-Glucopyranosyl-(1 inverted exclamation marku3)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione1-[(O-I(2)-D-Glucopyranosyl-(1a3)-O-I(2)-D-glucopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthracenedione9,10-Anthracenedione, 1-[(O-|A-D-glucopyranosyl-(1 inverted exclamation marku3)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-chrysophanol-1-O-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -2.5
- 극성 표면적
- 312 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,240
물리화학적 성질
- 끓는 점
- 1112.5 · 1112.5±65.0 °C(Predicted)
- 밀도
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.71 · 6.71±0.20(Predicted)
화학 및 산업
공급사39 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]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Aladdin Scientific[email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
桂林莱科生物科技有限公司
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