[(2S)-2-[6-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
기본 정보
- 표준 SMILES
CC/C=C\C[C@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC[C@H]1C=CC(=O)[C@@H]1C/C=C\CC- InChIKey
GXTGTCSHGJLVPW-OTKYOJGOSA-N- 분자식
- C49H76O17
- 평균 분자량
- 937.1 g/mol
- 단동위원소 질량
- 936.50825097
개요
GXTGTCSHGJLVPW-OTKYOJGOSA-N has been reported in Arabidopsis thaliana with data available.
이름 및 식별자
- 우선 이름
- [(2S)-2-[6-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
- IUPAC
- [(2S)-2-[6-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]hexanoyloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 265 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,600
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…