[4,5-Dihydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate
기본 정보
- 표준 SMILES
CCCCCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(C)OC4OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC4C3O)OC(CO)C(O)C5O)C(OC(=O)CCCCCCC)C2O)C(O)C1O- InChIKey
AHETUBHQABENGB-UHFFFAOYSA-N- 분자식
- C56H98O21
- 평균 분자량
- 1,107.4 g/mol
- 단동위원소 질량
- 1,106.66006016
이름 및 식별자
- 우선 이름
- [4,5-Dihydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate
- IUPAC
- [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] octanoate
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 294 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 1,680
관련 반응
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