Binder Information
Binder General Information | Top | |||
---|---|---|---|---|
Binder ID |
B8ZK4M
|
|||
Binder Name |
AesculiosideIV-23C1
|
|||
Synonyms |
CHEMBL1094358; BDBM50317510
Click to Show/Hide
|
|||
Binder Type |
Small molecular drug
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C57H88O23
|
|||
Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[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)CO)(C)C)OC(=O)/C(=C\\C)/C
|
|||
InChI |
1S/C57H88O23/c1-11-25(3)47(71)79-44-45(80-48(72)26(4)12-2)57(24-61)28(19-52(44,5)6)27-13-14-32-53(7)17-16-34(54(8,23-60)31(53)15-18-55(32,9)56(27,10)20-33(57)62)75-51-43(78-50-39(67)37(65)35(63)29(21-58)73-50)41(40(68)42(77-51)46(69)70)76-49-38(66)36(64)30(22-59)74-49/h11-13,28-45,49-51,58-68H,14-24H2,1-10H3,(H,69,70)/b25-11-,26-12-/t28-,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
|
|||
InChIKey |
GFNXJYIZHWPOMA-ZSECNADVSA-N
|
|||
PubChem Compound ID |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.