Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6IYU1
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| Binder Name |
2-[3-[5-[[3,5-Bis[[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303876; BDBM50422288
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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 |
C69H72O24
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CC3=CC(=CC(=C3)CC4=CC(=C(C=C4)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)CC7=CC(=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)C9=CC=CC(=C9)CC(=O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)CC(=O)O
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| InChI |
1S/C69H72O24/c70-31-52-58(79)61(82)64(85)67(91-52)88-49-13-10-37(25-46(49)43-7-1-4-34(22-43)28-55(73)74)16-40-19-41(17-38-11-14-50(89-68-65(86)62(83)59(80)53(32-71)92-68)47(26-38)44-8-2-5-35(23-44)29-56(75)76)21-42(20-40)18-39-12-15-51(90-69-66(87)63(84)60(81)54(33-72)93-69)48(27-39)45-9-3-6-36(24-45)30-57(77)78/h1-15,19-27,52-54,58-72,79-87H,16-18,28-33H2,(H,73,74)(H,75,76)(H,77,78)/t52-,53-,54-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+/m1/s1
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| InChIKey |
HNPGDSRBFGIJFZ-TULXJTHTSA-N
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| PubChem Compound ID | ||||
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