Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BOC2M4
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| Binder Name |
Aesculioside IId
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| Synonyms |
CHEMBL1095016; BDBM50317518
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| Binder Type |
Small molecular drug
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| Structure |
 |
Download2D MOL
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| Formula |
C46H72O17
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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]([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)C)[C@@H]2CC1(C)C)C)O)CO)O
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| InChI |
1S/C46H72O17/c1-9-21(2)38(58)63-36-35(55)46(20-49)23(16-41(36,3)4)22-10-11-26-42(5)14-13-28(43(6,19-48)25(42)12-15-44(26,7)45(22,8)17-27(46)50)60-40-32(54)33(31(53)34(62-40)37(56)57)61-39-30(52)29(51)24(18-47)59-39/h9-10,23-36,39-40,47-55H,11-20H2,1-8H3,(H,56,57)/b21-9-/t23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36-,39-,40+,42-,43+,44+,45+,46-/m0/s1
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| InChIKey |
SMBRHXBVGDCQRG-HOSUYAQASA-N
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| PubChem Compound ID | ||||
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