Binder Information
Binder General Information | Top | |||
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Binder ID |
BR8B2W
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Binder Name |
Aesculioside IIc
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Synonyms |
CHEMBL1095014; BDBM50317519
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C52H82O21
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Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(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](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O
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InChI |
1S/C52H82O21/c1-10-22(2)43(66)73-41-40(63)52(21-55)24(17-47(41,3)4)23-11-12-28-49(7)15-14-30(48(5,6)27(49)13-16-50(28,8)51(23,9)18-29(52)56)69-46-39(72-45-35(61)33(59)31(57)25(19-53)67-45)37(36(62)38(71-46)42(64)65)70-44-34(60)32(58)26(20-54)68-44/h10-11,24-41,44-46,53-63H,12-21H2,1-9H3,(H,64,65)/b22-10-/t24-,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,44-,45-,46+,49-,50+,51+,52-/m0/s1
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InChIKey |
UMOYUPMJUZJZFI-KUARJWSBSA-N
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PubChem Compound ID |
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