Binder Information
Binder General Information | Top | |||
---|---|---|---|---|
Binder ID |
BTB48Q
|
|||
Binder Name |
Aesculioside IVa
|
|||
Synonyms |
CHEMBL1094677; BDBM50317505
Click to Show/Hide
|
|||
Binder Type |
Small molecular drug
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C57H90O23
|
|||
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](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)O)O)CO)(C)C)OC(=O)/C(=C\\C)/C
|
|||
InChI |
1S/C57H90O23/c1-12-24(3)47(71)79-44-45(80-48(72)25(4)13-2)57(23-60)27(20-52(44,5)6)26-14-15-31-54(9)18-17-32(53(7,8)30(54)16-19-55(31,10)56(26,11)42(67)43(57)68)75-51-41(78-50-37(65)35(63)33(61)28(21-58)73-50)39(38(66)40(77-51)46(69)70)76-49-36(64)34(62)29(22-59)74-49/h12,14,25,27-45,49-51,58-68H,13,15-23H2,1-11H3,(H,69,70)/b24-12-/t25?,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44-,45-,49-,50-,51+,54-,55+,56-,57-/m0/s1
|
|||
InChIKey |
LPHWHWVLCPLJNB-CDEDCQMVSA-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.