| Compound | 17-alpha-H-periplogenin-beta-glucopyranosyl-(1->4)-2-O-acetyl-beta-digitalopyranoside |
| NPACT-Id | NPACT00049 |
| 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 | BGLMSGOJNINRPI-BJFLDPAVSA-N |
| InChi | 1S/C39H60O15/c1-19-31(54-34-30(45)29(44)28(43)26(16-40)53-34)32(48-5)33(52-20(2)41)35(51-19)50-17-21-6-10-36(3)24-7-11-37(4)23(22-14-27(42)49-18-22)9-13-39(37,47)25(24)8-12-38(36,46)15-21/h14,19,21,23-26,28-35,40,43-47H,6-13,15-18H2,1-5H3/t19-,21+,23+,24+ |
| SMILES | C1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@@H]([CH]C2)C1=CC(=O)OC1)C)O)C)O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1OC(=O)C)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C |
|
SMART | [H]C1C[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@@H](CO[C@@H]5O[C@H]([#6])[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O[#6])[C@H]5OC([#6])=O)CC[C@]4([#6])[C@@]3([H])CC[C@]2([#6])[C@]1([H])C1=CC(=O)OC1 |
| 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 |