Binder Information
Binder General Information | Top | |||
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Binder ID |
BW9Y2D
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Binder Name |
Clematiunicinoside E
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Synonyms |
Clematomandshurica Saponin C; CHEMBL1171454; BDBM50322744
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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 |
C76H124O39
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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](C8(C)C)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)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/C76H124O39/c1-27-40(81)46(87)52(93)64(103-27)111-58-33(22-78)106-62(55(96)49(58)90)101-25-35-44(85)48(89)54(95)67(109-35)115-70(99)76-18-16-71(3,4)20-30(76)29-10-11-38-73(7)14-13-39(72(5,6)37(73)12-15-75(38,9)74(29,8)17-19-76)110-69-61(42(83)31(80)24-100-69)114-68-57(98)60(41(82)28(2)104-68)113-63-51(92)45(86)36(26-102-63)108-65-56(97)50(91)59(34(23-79)107-65)112-66-53(94)47(88)43(84)32(21-77)105-66/h10,27-28,30-69,77-98H,11-26H2,1-9H3/t27-,28-,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-,64-,65-,66-,67-,68-,69-,73-,74+,75+,76-/m0/s1
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InChIKey |
FICAKDVNAHFTMY-JYHFIEJESA-N
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PubChem Compound ID |
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