| Compound | (25S)-5-beta-spirostan-3-beta-ol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside |
| NPACT-Id | NPACT00013 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Steroids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | JPDBRVULHVYFPY-RJUKJIRESA-N |
| InChi | 1S/C48H80O16/c1-22-8-15-48(59-19-22)23(2)34-30(64-48)16-29-27-10-12-45(5)17-26(9-14-47(45,7)28(27)11-13-46(29,34)6)62-44-43(58-21-33-38(53)40(55)36(51)25(4)61-33)41(56)42(31(18-49)63-44)57-20-32-37(52)39(54)35(50)24(3)60-32/h22-44,49-56H,8-21H2,1-7H3/t22- |
| 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)C)O)OC[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)C)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](OC[C@@H]3O[C@@H]([#6])[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]1OC[C@@H]1O[C@@H]([#6])[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 |