Bioactive Compound Details
| BioID | bio200292 |
|---|---|
| Name | ANCHUSOSID 2 |
| ChEMBL ID | CHEMBL500964 |
| Molecular Formula | C48H78O18 |
| Molecular Weight | 943.13 |
| Molecular Weight (Monoisotopic) | 942.5188 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | anchusosid 2 |
| Smiles | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36+,37-,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1 |
| Inchi Key | OGKRHYLZKFTGGO-RWKYVBNUSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.24 |
| Records Key | ['7, anchusosid 2'] |
| Records Name | ['Oleanolic acid-3-O-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl]-(1->3)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
