Binder Information
Binder General Information | Top | |||
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Binder ID |
BOH89M
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Binder Name |
Clematichinenoside B
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Synonyms |
CHEMBL1171453; BDBM50322746
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Binder Type |
Small molecular drug
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Structure |
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Download2D MOL
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Formula |
C70H114O35
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Canonical SMILES |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
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InChI |
1S/C70H114O35/c1-26-38(75)44(81)49(86)59(95-26)102-54-32(21-72)98-57(52(89)47(54)84)93-23-33-42(79)46(83)51(88)61(100-33)105-64(91)70-17-15-65(3,4)19-29(70)28-9-10-36-66(5)13-12-37(67(6,25-73)35(66)11-14-69(36,8)68(28,7)16-18-70)101-63-56(40(77)30(74)22-92-63)104-62-53(90)55(39(76)27(2)96-62)103-58-48(85)43(80)34(24-94-58)99-60-50(87)45(82)41(78)31(20-71)97-60/h9,26-27,29-63,71-90H,10-25H2,1-8H3/t26-,27-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,66-,67-,68+,69+,70-/m0/s1
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InChIKey |
OPDMMMZEWMDDKL-CILBPKMSSA-N
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PubChem Compound ID |
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