Binder Information
Binder General Information | Top | |||
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Binder ID |
BH0BX4
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Binder Name |
Aesculioside IIIe
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Synonyms |
CHEMBL1095027; BDBM50317514
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C57H88O24
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Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)/C(=C/C)/C
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InChI |
1S/C57H88O24/c1-11-24(3)47(72)80-44-45(81-48(73)25(4)12-2)57(23-61)27(19-52(44,5)6)26-13-14-31-53(7)17-16-32(54(8,22-60)30(53)15-18-55(31,9)56(26,10)42(68)43(57)69)76-51-41(79-50-37(66)35(64)33(62)28(20-58)74-50)39(38(67)40(78-51)46(70)71)77-49-36(65)34(63)29(21-59)75-49/h11-13,27-45,49-51,58-69H,14-23H2,1-10H3,(H,70,71)/b24-11+,25-12-/t27-,28+,29-,30+,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44-,45-,49-,50-,51+,53-,54+,55+,56-,57-/m0/s1
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InChIKey |
QQECVWUIFIPTKP-JQATWIJFSA-N
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PubChem Compound ID |
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