2-(2-Methoxycarbonylethylthio)ethyl 2,3,6-tri-O-acetyl-4-O-{2,3,6-tri-O-acetyl-4-O-[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]-alpha-D-glucopyranosyl}-beta-D-glucopyranoside

HCID 18608304
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기본 정보

표준 SMILES
COC(=O)CCSCCO[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](CO[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(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]1OC(C)=O
InChIKey
APVWGXIOHDWURP-BQNZJTRJSA-N
분자식
C56H78O36S
평균 분자량
1,359.3 g/mol
단동위원소 질량
1,358.39935

이름 및 식별자

우선 이름
2-(2-Methoxycarbonylethylthio)ethyl 2,3,6-tri-O-acetyl-4-O-{2,3,6-tri-O-acetyl-4-O-[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]-alpha-D-glucopyranosyl}-beta-D-glucopyranoside
IUPAC
methyl 3-[2-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyethylsulfanyl]propanoate

이름 및 동의어

SCHEMBL10708677APVWGXIOHDWURP-BQNZJTRJSA-N2-(2-Methoxycarbonylethylthio)ethyl 2,3,6-tri-O-acetyl-4-O-{2,3,6-tri-O-acetyl-4-O-[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl] -alpha-D-glucopyranosyl}-beta-D-glucopyranoside

데이터베이스 식별자

PubChem CID
18608304

물성

구조 계산 물성

XLogP
-1.1
극성 표면적
467 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
37
회전 가능 결합 수
44
무거운 원자 수
93

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