[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-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] decanoate
기본 정보
- 표준 SMILES
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)CCCCCCC)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C- InChIKey
WURCZMFZRLLVRW-LNQWETOMSA-N- 분자식
- C58H102O21
- 평균 분자량
- 1,135.4 g/mol
- 단동위원소 질량
- 1,134.69136028
개요
WURCZMFZRLLVRW-LNQWETOMSA-N has been reported in Ipomoea purpurea with data available.
이름 및 식별자
- 우선 이름
- [(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-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] decanoate
- IUPAC
- [(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-octanoyloxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-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] decanoate
물성
구조 계산 물성
- XLogP
- 9.3
- 극성 표면적
- 294 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 79
- 형식 전하
- 0
- 복잡도
- 1,710
관련 반응
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