기본 정보
- CAS
259748-74-8- 표준 SMILES
C/C=C(/C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C- InChIKey
WAICKBYMIHVFCN-MYKKPKGFSA-N- 분자식
- C59H92O26
- 평균 분자량
- 1,217.3 g/mol
- 단동위원소 질량
- 1,216.58768306
개요
Assamsaponin E has been reported in Camellia sinensis with data available.
이름 및 식별자
- 우선 이름
- Assamsaponin E
- IUPAC
- 6-[[8a-(acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
이름 및 동의어
Assamsaponin E6-((8a-(acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-((Z)-2-methylbut-2-enoyl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4-(4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-3-hydroxy-5-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2-carboxylic acid6-[[8a-(acetyloxymethyl)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acidRefChem:115239
데이터베이스 식별자
- CAS
259748-74-8
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 407 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,490
실험 및 물리화학적 성질
Melting Point189.4 - 190.4 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
공급사
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