| Compound | 23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid 28-O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT00081 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZYFJTVXSTFPARN-IZBICKSHSA-N |
| InChi | 1S/C40H64O12/c1-19(2)21-10-15-40(35(46)47)17-16-37(5)22(27(21)40)8-9-24-36(4)13-12-26(39(7,48)25(36)11-14-38(24,37)6)51-34-32(29(43)23(41)18-49-34)52-31-28(42)20(3)50-33(45)30(31)44/h20-34,41-45,48H,1,8-18H2,2-7H3,(H,46,47)/t20-,21+,22-,23+,24-,25-,26+,27 |
| SMILES | C1C[C@@H]([C@@]([C@H]2[C@]1([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@]1(CC2)C(=O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C)CO)C(=C)C)C)C)C)(C)CO)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@H](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[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H]([#6])[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)C([#6])=C)[C@]2([#6])CO)[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 |