| Compound | Hederagenin 3-O-beta-D-glucopyranosyl-(1->4)-alpha-L-arabinopyranoside |
| NPACT-Id | NPACT00656 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SIODHFCSFUFHJP-VUGDFOROSA-N |
| InChi | 1S/C40H64O13/c1-35(2)13-15-40(34(47)48)16-14-37(4)20(21(40)17-35)7-8-24-36(3)11-10-26(39(6,49)25(36)9-12-38(24,37)5)53-32-30(45)28(43)23(19-50-32)52-33-31(46)29(44)27(42)22(18-41)51-33/h7,21-33,41-46,49H,8-19H2,1-6H3,(H,47,48)/t21-,22-,23+,24+,25-,26+,27- |
| SMILES | C1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(C(=O)O)CCC(C1)(C)C)C)C)C)(C)O)O[C@@H]1OC[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
|
SMART | [#6][C@]1([#6])CC[C@@]2(CC[C@]3([#6])C(=CC[C@H]4[C@@]5([#6])CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H]6O)[C@@]([#6])(O)[C@@H]5CC[C@@]34[#6])[C@H]2C1)C(O)=O |
| CAS No. | - |
|
Structure
Download | 
|
| 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 |