[(3R,4S)-5-[(3S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
기본 정보
- 표준 SMILES
O=C(OC[C@]1(O)COC(O[C@@H]2C(OCCc3ccc(O)cc3)OC(CO)[C@H](O)[C@@H]2O)[C@H]1O)c1ccc(O)cc1- InChIKey
MWVDTRFZEALNIG-YNQRFIRFSA-N- 분자식
- C26H32O13
- 평균 분자량
- 552.5 g/mol
- 단동위원소 질량
- 552.18429108
개요
[(3R,4S)-5-[(3S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate has been reported in Catalpa ovata with data available.
이름 및 식별자
- 우선 이름
- [(3R,4S)-5-[(3S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
- IUPAC
- [(3R,4S)-5-[(3S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 769
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…