Binder Information
Binder General Information | Top | |||
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Binder ID |
B7P2IQ
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Binder Name |
Aesculioside IV-23D1
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Synonyms |
CHEMBL1094675; BDBM50317507
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C57H88O22
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Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=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)O)CO)(C)C)OC(=O)/C(=C\\C)/C
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InChI |
1S/C57H88O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-60)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)35(62)29(22-58)72-50)41(40(67)42(76-51)46(68)69)75-49-38(65)36(63)30(23-59)73-49/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)/b25-12-,26-13-/t28-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,49-,50-,51+,54-,55+,56+,57-/m0/s1
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InChIKey |
MBJDXKFGFVRQIV-GZBYFAPJSA-N
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PubChem Compound ID |
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