2-(Octadecylthio)ethyl 2-acetamido-2-deoxy-3,6-di-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside
기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCCCSCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O- InChIKey
IBTPBCSCOYARDF-WNOKPBINSA-N- 분자식
- C58H93NO25S
- 평균 분자량
- 1,236.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(Octadecylthio)ethyl 2-acetamido-2-deoxy-3,6-di-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside
- IUPAC
- [(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-3-[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(2-octadecylsulfanylethoxy)oxan-2-yl]methyl acetate
이름 및 동의어
SCHEMBL10604495IBTPBCSCOYARDF-WNOKPBINSA-N2-(Octadecylthio)ethyl 2-acetamido-2-deoxy-3,6-di-O-acetyl-4-O-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]-beta-D-glucopyranoside
데이터베이스 식별자
- PubChem CID
- 86741645
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 346 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 47
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,110
관련 반응
1건
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