Binder Information
Binder General Information | Top | |||
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Binder ID |
BXS89G
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Binder Name |
Aesculioside III
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Synonyms |
CHEMBL1094684; BDBM50317526
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C54H84O23
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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]([C@]5(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)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C
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InChI |
1S/C54H84O23/c1-10-23(2)45(69)77-42-43(70-24(3)59)54(22-58)26(17-49(42,4)5)25-11-12-30-50(6)15-14-32(51(7,21-57)29(50)13-16-52(30,8)53(25,9)18-31(54)60)73-48-41(76-47-37(65)35(63)33(61)27(19-55)71-47)39(38(66)40(75-48)44(67)68)74-46-36(64)34(62)28(20-56)72-46/h10-11,26-43,46-48,55-58,60-66H,12-22H2,1-9H3,(H,67,68)/b23-10-/t26-,27+,28-,29+,30+,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48+,50-,51+,52+,53+,54-/m0/s1
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InChIKey |
HGPWYXHDNWWEBT-JUKDTTJLSA-N
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PubChem Compound ID |
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