Bioactive Compound Details
| BioID | bio198883 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1641864 |
| Molecular Formula | C59H94O28 |
| Molecular Weight | 1251.37 |
| Molecular Weight (Monoisotopic) | 1250.5932 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'O-Acetylpolygalcin D |
| Smiles | CC(=O)O[C@H]1[C@@H](O)[C@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
| Inchi | InChI=1S/C59H94O28/c1-24-41(83-47-39(72)42(30(66)20-77-47)84-51-45(74)58(76,22-62)23-79-51)43(81-25(2)63)40(73)49(80-24)85-44-35(68)29(65)19-78-50(44)87-52(75)59-14-13-53(3,4)15-27(59)26-9-10-33-54(5)16-28(64)46(86-48-38(71)37(70)36(69)31(18-60)82-48)55(6,21-61)32(54)11-12-56(33,7)57(26,8)17-34(59)67/h9,24,27-51,60-62,64-74,76H,10-23H2,1-8H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,54-,55-,56+,57+,58+,59+/m0/s1 |
| Inchi Key | PVYHFAATIMELDB-HSQBTZBYSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | None |
| Records Key | ['10'] |
| Records Name | [2''O-acetylpolygalcin D"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
