Binder Information
Binder General Information | Top | |||
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Binder ID |
BFV7K6
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Binder Name |
Aesculioside IVb
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Synonyms |
CHEMBL1094681; BDBM50317511
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C58H92O23
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Canonical SMILES |
CCC(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)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C
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InChI |
1S/C58H92O23/c1-12-25(3)48(72)80-45-46(81-49(73)26(4)13-2)58(24-62)29(20-53(45,6)7)28-14-15-33-54(8)18-17-34(55(9,23-61)32(54)16-19-56(33,10)57(28,11)27(5)44(58)69)76-52-43(79-51-39(67)37(65)35(63)30(21-59)74-51)41(40(68)42(78-52)47(70)71)77-50-38(66)36(64)31(22-60)75-50/h12,14,26-27,29-46,50-52,59-69H,13,15-24H2,1-11H3,(H,70,71)/b25-12-/t26?,27-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46-,50-,51-,52+,54-,55+,56+,57+,58-/m0/s1
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InChIKey |
CODLSAUAUYVHDY-YGWHKNMBSA-N
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PubChem Compound ID |
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