| Compound | (25S)-5-beta-spirostan-3-beta-ol 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside |
| NPACT-Id | NPACT00016 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Steroids |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | MPXQMMPEVPJGOW-AKPOQCQISA-N |
| InChi | 1S/C41H68O13/c1-20-6-13-41(50-18-20)21(2)30-26(54-41)14-25-23-8-10-38(3)15-22(7-12-40(38,5)24(23)9-11-39(25,30)4)51-37-36(35(48)32(45)28(17-43)53-37)49-19-29-33(46)34(47)31(44)27(16-42)52-29/h20-37,42-48H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25+,26+,27-,28+, |
| SMILES | C1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@H](CC2)[C@@H]2C[C@H]3[C@@H]([C@]2(CC1)C)[C@@H]([C@]1(O3)CC[C@H](CO1)C)C)C)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)O)O)CO |
|
SMART | [H][C@]12[C@H](C[C@H]3[C@H]4CC[C@]5([#6])C[C@H](CC[C@]5([#6])[C@H]4CC[C@]13[#6])O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)O[C@]1(CC[C@@H]([#6])CO1)[C@H]2[#6] |
| 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 |