Binder Information
Binder General Information | Top | |||
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Binder ID |
B9QK7P
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Binder Name |
Aesculioside IIIb
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Synonyms |
CHEMBL1094683; BDBM50317527
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C56H88O24
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Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C(C)C
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InChI |
1S/C56H88O24/c1-11-24(4)47(72)79-43-44(80-46(71)23(2)3)56(22-60)26(18-51(43,5)6)25-12-13-30-52(7)16-15-31(53(8,21-59)29(52)14-17-54(30,9)55(25,10)41(67)42(56)68)75-50-40(78-49-36(65)34(63)32(61)27(19-57)73-49)38(37(66)39(77-50)45(69)70)76-48-35(64)33(62)28(20-58)74-48/h11-12,23,26-44,48-50,57-68H,13-22H2,1-10H3,(H,69,70)/b24-11-/t26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,48-,49-,50+,52-,53+,54+,55-,56-/m0/s1
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InChIKey |
LIWXCZUYDRBOOQ-YOWFXSDUSA-N
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PubChem Compound ID |
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