[(2S,3R,4S,5S,6R)-6-[[(2R,3R,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
기본 정보
- 표준 SMILES
COc1cc(C=CC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@H](OC[C@H]3O[C@@H](Oc4cc5c(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc(O)cc5[o+]c4-c4cc(O)c(O)c(OC)c4)[C@H](O)C(O)[C@H]3O)O[C@H]2C)ccc1O- InChIKey
DIZCGGRSLSQEOO-RNOPXSFKSA-O- 분자식
- C44H51O24+
- 평균 분자량
- 963.9 g/mol
- 단동위원소 질량
- 963.27647893
이름 및 식별자
- 우선 이름
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
물성
구조 계산 물성
- 극성 표면적
- 364 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 68
- 형식 전하
- 1
- 복잡도
- 1,630
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…