Bioactive Compound Details
| BioID | bio200144 |
|---|---|
| Name | PROSAPOGENIN 2 |
| ChEMBL ID | CHEMBL510532 |
| Molecular Formula | C48H77NO18 |
| Molecular Weight | 956.13 |
| Molecular Weight (Monoisotopic) | 955.5141 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | prosapogenin 2 |
| Smiles | CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](O)C[C@]6(C(=O)O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C48H77NO18/c1-21(50)49-32-36(58)35(57)26(20-64-41-38(34(56)25(52)19-63-41)67-40-37(59)33(55)24(51)18-62-40)65-39(32)66-31-12-13-45(6)27(44(31,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)29(53)17-48(23,42(60)61)30(54)16-47(22,46)8/h9,23-41,51-59H,10-20H2,1-8H3,(H,49,50)(H,60,61)/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 | KMDCNBWPSWPBOL-FDVVIYCCSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.48 |
| Records Key | ['12', '5, prosapogenin 2'] |
| Records Name | ['acacic acid 3-O-beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranoside', '3-O-beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-2-acetamido-2-deoxy-glucopyranosylacacic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
