[(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6S)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7S,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
기본 정보
- 표준 SMILES
CCCCC/C=C\C=C\C(=O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/C=C/C[C@H](O)/C=C/C=C/CCCCC)[C@@H](O)[C@H](c3c(O)cc(O)cc3CO)O[C@@H]2CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O- InChIKey
XRQGNAQBXJWDHO-CCNQLMBSSA-N- 분자식
- C51H74O21
- 평균 분자량
- 1,023.1 g/mol
- 단동위원소 질량
- 1,022.47225939
이름 및 식별자
- 우선 이름
- [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6S)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7S,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
- IUPAC
- [(2S,3S,4R,5R,6R)-5-[(2S,3R,4S,5R,6S)-6-[[(2E,4Z)-deca-2,4-dienoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,7S,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoate
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 342 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,760
관련 반응
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