HCID53876502

N,N'-Bis[4-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-beta-D-glucopyranosylthio]phenyl]octanediamide

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[4-[[8-[4-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylanilino]-8-oxooctanoyl]amino]phenyl]sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate

C72H92N2O36S21,625.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OC[C@H]1O[C@@H](Sc2ccc(NC(=O)CCCCCCC(=O)Nc3ccc(S[C@@H]4O[C@H](COC(C)=O)[C@@H](O[C@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey: HGUIQXGJFMKYED-GKHQYSBQSA-N
分子式: C72H92N2O36S2
平均分子量: 1,625.6 g/mol
单同位素质量: 1,624.4871196

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 532 Å²
氢键供体: 2
氢键受体: 38
可旋转键: 49
重原子: 112
形式电荷: 0
复杂度: 3,080

ALIASES

名称与别名

共 3 条

SCHEMBL11134291HGUIQXGJFMKYED-GKHQYSBQSA-NN,N'-Bis[4-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-beta-D-glucopyranosylthio]phenyl]octanediamide

REACTIONS

参与反应

2 条

uspto-grants-1983_08 · 10.6084/m9.figshare.5104873.v1 · US04399126

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uspto-grants-1983_08 · 10.6084/m9.figshare.5104873.v1 · US04399126

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