Binder Information
Binder General Information | Top | |||
---|---|---|---|---|
Binder ID |
BG3N6L
|
|||
Binder Name |
Aesculioside IIf
|
|||
Synonyms |
CHEMBL1095340; Aesculioside G13; BDBM50317529
Click to Show/Hide
|
|||
Binder Type |
Small molecular drug
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C54H84O23
|
|||
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)OC(=O)C
|
|||
InChI |
1S/C54H84O23/c1-11-22(2)45(69)77-42-43(70-23(3)58)54(21-57)25(18-49(42,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(54)66)73-48-39(76-47-35(63)33(61)31(59)26(19-55)71-47)37(36(64)38(75-48)44(67)68)74-46-34(62)32(60)27(20-56)72-46/h11-12,25-43,46-48,55-57,59-66H,13-21H2,1-10H3,(H,67,68)/b22-11+/t25-,26+,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
|
|||
InChIKey |
YBWCONKZAAIFHO-KHDHLZLFSA-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.