Binder Information
Binder General Information | Top | |||
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Binder ID |
BFZ2W3
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Binder Name |
Saniculasaponin III
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Synonyms |
CHEMBL1094686; BDBM50317524
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C55H86O23
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Canonical SMILES |
CC/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)C)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](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)CO)OC(=O)C
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InChI |
1S/C55H86O23/c1-11-24(12-2)46(70)78-43-44(72-23(3)58)55(22-57)26(19-50(43,4)5)25-13-14-30-52(8)17-16-31(51(6,7)29(52)15-18-53(30,9)54(25,10)41(66)42(55)67)74-49-40(77-48-36(64)34(62)33(61)28(20-56)73-48)38(37(65)39(76-49)45(68)69)75-47-35(63)32(60)27(59)21-71-47/h11,13,26-44,47-49,56-57,59-67H,12,14-22H2,1-10H3,(H,68,69)/b24-11-/t26-,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,47-,48-,49+,52-,53+,54-,55-/m0/s1
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InChIKey |
TZKKINMKZKBLEB-YCLYPOFZSA-N
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PubChem Compound ID |
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