Bioactive Compound Details
| BioID | bio198161 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL590300 |
| Molecular Formula | C32H40O16 |
| Molecular Weight | 680.66 |
| Molecular Weight (Monoisotopic) | 680.2316 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Acetylacteoside |
| Smiles | CC(=O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1OC[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C32H40O16/c1-15-26(40)28(42)27(41)24(45-15)14-44-30-29(48-25(39)8-5-17-3-6-19(35)21(37)11-17)23(13-33)47-32(31(30)46-16(2)34)43-10-9-18-4-7-20(36)22(38)12-18/h3-8,11-12,15,23-24,26-33,35-38,40-42H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24-,26-,27-,28+,29+,30-,31+,32+/m0/s1 |
| Inchi Key | KJJKGAYHJMZKLA-DBDAIDROSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 1.79 |
| Records Key | ['8'] |
| Records Name | [2'-Acetylacteoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
