Binder Information
Binder General Information | Top | |||
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Binder ID |
B2YU0E
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Binder Name |
Aesculioside IIj
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Synonyms |
CHEMBL1095339; Aesculioside G15; BDBM50317513
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C54H84O22
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Canonical SMILES |
C/C=C(\\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)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@@H]2CC1(C)C)C)O)CO)OC(=O)C
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InChI |
1S/C54H84O22/c1-11-23(2)45(68)76-42-43(69-24(3)58)54(22-57)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)33(60)27(20-55)70-47)39(38(65)40(74-48)44(66)67)73-46-36(63)34(61)28(21-56)71-46/h11-12,26-43,46-48,55-57,59-65H,13-22H2,1-10H3,(H,66,67)/b23-11+/t26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48+,51-,52+,53+,54-/m0/s1
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InChIKey |
AYMDXDUYKXXDGX-HLVGPNDKSA-N
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PubChem Compound ID |
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