Sorbifoliaside E
기본 정보
- 표준 SMILES
C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](O)[C@H](O)[C@]6(CO[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C(=O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O- InChIKey
VZZIBXVHHKOLOS-UZHRRJLMSA-N- 분자식
- C59H94O26
- 평균 분자량
- 1,219.4 g/mol
- 단동위원소 질량
- 1,218.60333313
이름 및 식별자
- 우선 이름
- Sorbifoliaside E
- IUPAC
- [(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,9R,10R,12aS,14aR,14bR)-9,10-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-8a-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-2-methylbut-2-enoate
이름 및 동의어
sorbifoliaside ERefChem:184416((2R,3R,4S,5R,6R)-2-(((3S,4aR,6aR,6bS,8aS,9R,10R,12aS,14aR,14bR)-9,10-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-8a-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxymethyl)-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl)oxy)-3,5-dihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-4-yl) (Z)-2-methylbut-2-enoate[(2R,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,9R,10R,12aS,14aR,14bR)-9,10-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-8a-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-2-methylbut-2-enoateCHEMBL2058431
데이터베이스 식별자
- ChEMBL
CHEMBL2058431
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 421 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,440
관련 반응
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