| Compound | (25S)-5-beta-spirostan-3-beta-ol 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-6-O-acetylglucopyranoside |
| NPACT-Id | NPACT00015 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Steroids |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SWIFMWQWVQDARO-CUDFMMHQSA-N |
| InChi | 1S/C41H66O14/c1-19-8-13-41(50-17-19)20(2)30-27(55-41)15-26-24-7-6-22-14-23(9-11-39(22,4)25(24)10-12-40(26,30)5)51-38-36(34(47)32(45)29(53-38)18-49-21(3)43)54-37-35(48)33(46)31(44)28(16-42)52-37/h19-20,22-38,42,44-48H,6-18H2,1-5H3/t19-,20-,22+,23-,24-,25-, |
| SMILES | C1C[C@@H](C[C@@H]2[C@]1([C@@H]1[C@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)CC[C@@H](CO2)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O)O)COC(=O)C |
|
SMART | [H][C@]12CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@H]([#6])CO6)[C@@H]([#6])[C@@H]5[C@@]4([#6])CC[C@@H]3[C@@]1([#6])CC[C@@H](C2)O[C@@H]1O[C@H](COC([#6])=O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |
| 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 |