Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE7C2K
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| Binder Name |
2-[3-[5-[4-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303873; BDBM50422293
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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 |
C44H50O16
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O
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| InChI |
1S/C44H50O16/c45-21-33-37(51)39(53)41(55)43(59-33)57-31-13-11-23(17-29(31)27-9-3-7-25(15-27)19-35(47)48)5-1-2-6-24-12-14-32(58-44-42(56)40(54)38(52)34(22-46)60-44)30(18-24)28-10-4-8-26(16-28)20-36(49)50/h3-4,7-18,33-34,37-46,51-56H,1-2,5-6,19-22H2,(H,47,48)(H,49,50)/t33-,34-,37-,38-,39-,40-,41+,42+,43+,44+/m1/s1
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| InChIKey |
DSPCUIWAKYWGRM-FLXCIWQFSA-N
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| PubChem Compound ID | ||||
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