Binder Information
Binder General Information | Top | |||
---|---|---|---|---|
Binder ID |
BJM4G0
|
|||
Binder Name |
Aesculioside IIa
|
|||
Synonyms |
CHEMBL1094691; Aesculioside G5; BDBM50317532
Click to Show/Hide
|
|||
Binder Type |
Small molecular drug
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C52H82O22
|
|||
Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@]2([C@@H](CC1(C)C)C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3([C@H]([C@H]2O)O)C)C)(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)CO)O
|
|||
InChI |
1S/C52H82O22/c1-10-21(2)43(67)74-41-40(64)52(20-55)23(17-47(41,3)4)22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(52)63)70-46-37(73-45-33(60)31(58)29(56)24(18-53)68-45)35(34(61)36(72-46)42(65)66)71-44-32(59)30(57)25(19-54)69-44/h10-11,23-41,44-46,53-64H,12-20H2,1-9H3,(H,65,66)/b21-10-/t23-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,44-,45-,46+,49-,50+,51-,52-/m0/s1
|
|||
InChIKey |
OSURIFGREXTNLJ-VZNPLFSISA-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.