기본 정보
- CAS
143519-54-4- 표준 SMILES
CC1=C(O)C(=O)C[C@H](O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)O1- InChIKey
ONAAMCDHQSWPDU-BKUHCKHBSA-N- 분자식
- C54H84O21
- 평균 분자량
- 1,069.2 g/mol
- 단동위원소 질량
- 1,068.55050968
개요
Soyasaponin VI has been reported in Glycine max, Trigonella foenum-graecum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Soyasaponin betag
- IUPAC
- (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[[(2R)-5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
- 현지명
- 크로모사포닌I
- 영어명
- chromosaponin I
- 분자식
- C54H84O21
- 분자량
- 1069.23
이름 및 동의어
Chromosaponin I143519-54-4DTXSID7013172713-O-(Rhamnopyranosyl-1-2-galactopyranosyl-1-2-glucuronopyranosyl-1-)-22-O-(3'-hydroxy-2'-methyl-5',6'-dihydro-4'-pyrone-6'-)-3,22,24-trihydroxyolean-12-eneSoyasaponin betagsoyasaponin beta gRefChem:931995DTXCID6017470915-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-3,4-dihydroxy-6-((4-(hydroxymethyl)-9-((5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)oxane-2-carboxylic acidSoyasaponin VISoyasaponin I(2)gorb2645977
이름 더 보기
크로모사포닌Iβ-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
HY-N12975TN8028(3beta,4beta,22beta(R))-22-((3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl)oxy)-23-hydroxylean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-beta-D-Glucopyranosiduronic acidCS-109965424-Hydroxy-22beta-{[(2R)-5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl]oxy}olean-12-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acidbeta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22-((3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl)oxy)-23-hydroxylean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 331 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,210
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.76 · 2.76±0.70(Predicted)
화학 및 산업
응용 분야
용도Soyasaponin VI is used in method for producing soya saponins.
공급사4 곳
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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