(2S,3S,4R,5R,6S)-2-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
기본 정보
- 표준 SMILES
CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O- InChIKey
ZYYNEJWFGGVJQZ-WVVFHAMESA-N- 분자식
- C52H76O12
- 평균 분자량
- 893.2 g/mol
- 단동위원소 질량
- 892.53367787
개요
ZYYNEJWFGGVJQZ-WVVFHAMESA-N has been reported in Planktothrix agardhii and Tychonema bornetii with data available.
이름 및 식별자
- 우선 이름
- (2S,3S,4R,5R,6S)-2-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
- IUPAC
- (2S,3S,4R,5R,6S)-2-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,750
관련 반응
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