| Compound | Hederagenin 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside |
| NPACT-Id | NPACT00654 |
| 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 | YDIVEUDWEUCRME-GLYZPCLLSA-N |
| InChi | 1S/C40H64O12/c1-20-27(42)30(29(44)32(45)50-20)52-31-28(43)23(41)19-49-33(31)51-26-11-12-36(4)24-9-8-21-22-18-35(2,3)14-16-40(22,34(46)47)17-15-37(21,5)38(24,6)13-10-25(36)39(26,7)48/h8,20,22-33,41-45,48H,9-19H2,1-7H3,(H,46,47)/t20-,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[C@@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)C)O)O)O |
|
SMART | [#6][C@H]1O[C@@H](O)[C@H](O)C(O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@H]3CC=C3[C@H]5C[C@@]([#6])([#6])CC[C@@]5(CC[C@@]43[#6])C(O)=O)[C@]2([#6])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 |