[(2S,3S,4R,5R,6R)-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7R,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
기본 정보
- 표준 SMILES
CCCCC/C=C/C=C/[C@H](O)C/C=C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](c2c(O)cc(O)cc2CO)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
DEPSCDXHCFJSQZ-MPAPTIDGSA-N- 분자식
- C41H60O20
- 평균 분자량
- 872.9 g/mol
- 단동위원소 질량
- 872.36779432
이름 및 식별자
- 우선 이름
- [(2S,3S,4R,5R,6R)-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7R,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
- IUPAC
- [(2S,3S,4R,5R,6R)-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7R,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 335 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,410
관련 반응
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