기본 정보
- CAS
163648-25-7- 표준 SMILES
C=C(/C=C\C[C@@H](O)[C@@H](O)[C@H](O)C/C=C/C=C\[C@@H](O)C[C@@H]1O[C@H](C[C@@H](O)[C@H](O)C[C@H]2O[C@H]([C@H](O)[C@H](O)CC[C@H](O)/C=C/[C@H](C)[C@@H](O)C[C@]3(O)O[C@H]([C@@H](O)[C@@H](O)CCCCCCC[C@@]45C[C@@H](C)C[C@@](C)(O4)[C@@H](CCCCCCC[C@@H](O)C[C@H](O)[C@@H](O)[C@@H](O)[C@H]4O[C@H](C[C@H](O)[C@H](O)/C(C)=C/[C@H](O)CC[C@H](O)C(=O)N/C=C/C(=O)NCCCO)[C@H](O)[C@@H](O)[C@@H]4O)O5)C[C@@H](O)[C@H]3O)C[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](C)C[C@H]1O[C@H](/C=C\[C@@H](O)[C@H](O)C[C@@H]2C[C@@H]3C[C@H](O2)[C@@H](CC[C@H]2O[C@H](CN)C[C@H]2O)O3)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
QJZSVGZHSZCZHY-QRKLFKDPSA-N- 분자식
- C127H219N3O53
- 평균 분자량
- 2,636.1 g/mol
- 단동위원소 질량
- 2,634.4533788
개요
ostreocin-D has been reported in Ostreopsis siamensis with data available.
이름 및 식별자
- 우선 이름
- ostreocin-D
- IUPAC
- (E,2S,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1R,2R,3S,5R)-12-[(1R,3S,5S,7R)-5-[(8S,9S)-9-[(2S,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-4,5,6-trihydroxyoxan-2-yl]-8,9-dihydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,5-tetrahydroxydodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-7-methyldec-6-enamide
이름 및 동의어
ostreocin-DDTXSID50880112
데이터베이스 식별자
- CAS
163648-25-7- PubChem CID
- 165367994
- DTXSID
DTXSID50880112
물성
구조 계산 물성
- XLogP
- -6.5
- 극성 표면적
- 1,010 Ų
- 수소 결합 공여자 수
- 44
- 수소 결합 수용자 수
- 54
- 회전 가능 결합 수
- 80
- 무거운 원자 수
- 183
- 형식 전하
- 0
- 복잡도
- 5,130
관련 반응
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