(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(2-{2-[4-({4-[7,12,17-tris({4-[(1-{2-[2-(2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenoxy}methyl)-1H-1,2,3-triazol-1-yl]ethoxy}ethoxy)ethoxy]oxane-3,4,5-triol

化合物标识与属性

PubChem CID

52916068

SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC8=CN(N=N8)CCOCCOCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C1=CC=C(C=C1)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C=C4)C1=CC=C(C=C1)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N3)OCC1=CN(N=N1)CCOCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

Canonical SMILES

OC[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3ccc(-c4c5nc(c(-c6ccc(OCc7cn(CCOCCOCCO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)cc6)c6ccc([nH]6)c(-c6ccc(OCc7cn(CCOCCOCCO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)cc6)c6nc(c(-c7ccc(OCc8cn(CCOCCOCCO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)cc7)c7ccc4[nH]7)C=C6)C=C5)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O