Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3HUJ8
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| Binder Name |
2-[3-[5-[6-[3-[2-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-oxohexanoyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303868; BDBM50422282
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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 |
C46H50O18
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| Canonical SMILES |
C1=CC=C(C(=C1)CC(=O)O)C2=C(C=CC(=C2)C(=O)CCCCC(=O)C3=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
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| InChI |
1S/C46H50O18/c47-21-35-39(55)41(57)43(59)45(63-35)61-33-14-12-26(18-29(33)24-8-5-6-23(16-24)17-37(51)52)31(49)10-3-4-11-32(50)27-13-15-34(62-46-44(60)42(58)40(56)36(22-48)64-46)30(19-27)28-9-2-1-7-25(28)20-38(53)54/h1-2,5-9,12-16,18-19,35-36,39-48,55-60H,3-4,10-11,17,20-22H2,(H,51,52)(H,53,54)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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| InChIKey |
KDQZJDOCDSBVKM-PDKFAMIPSA-N
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| PubChem Compound ID | ||||
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