| Compound | Physagulin D(1->6)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside |
| NPACT-Id | NPACT00866 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Steroids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | YXGUIOXCZNPZMF-XLEGSIGHSA-N |
| InChi | 1S/C45H70O19/c1-18-11-28(61-40(57)23(18)14-46)19(2)24-7-8-25-22-6-5-20-12-21(13-31(49)45(20,4)26(22)9-10-44(24,25)3)60-42-38(56)35(53)39(29(15-47)62-42)64-43-37(55)34(52)33(51)30(63-43)17-59-41-36(54)32(50)27(48)16-58-41/h5,19,21-22,24-39,41-43,46-56H,6-1 |
| SMILES | O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](CO)O[C@@H]([C@@H](O)[C@@H]1O)O[C@@H]1C[C@H]([C@@]2(C(=CC[C@@H]3[C@@H]2CC[C@@]2([C@H](CC[C@@H]32)[C@@H]([C@@H]2CC(=C(C(=O)O2)CO)C)C)C)C1)C)O |
|
SMART | [#6][C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C[C@@H](O)[C@@]4([#6])[C@H]3CC[C@]12[#6])O[C@H]1O[C@@H](CO)[C@H](O[C@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O)[C@@H]1CC([#6])=C(CO)C(=O)O1 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |