Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BO1Z2N
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| Binder Name |
2-[3-[5-[5-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pentyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid
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| Synonyms |
CHEMBL2303890; BDBM50422284
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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 |
C45H52O16
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| Canonical SMILES |
C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H](C(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/C45H52O16/c46-22-34-38(52)40(54)42(56)44(60-34)58-32-14-12-24(18-30(32)28-10-4-8-26(16-28)20-36(48)49)6-2-1-3-7-25-13-15-33(59-45-43(57)41(55)39(53)35(23-47)61-45)31(19-25)29-11-5-9-27(17-29)21-37(50)51/h4-5,8-19,34-35,38-47,52-57H,1-3,6-7,20-23H2,(H,48,49)(H,50,51)/t34-,35?,38-,39-,40-,41-,42+,43+,44+,45+/m1/s1
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| InChIKey |
UMVVKOLPXPKWBU-ZVDMDTAKSA-N
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| PubChem Compound ID | ||||
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