| Compound | 23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT00079 |
| 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 | NOPQZMALBBPMOO-PBCXVLDPSA-N |
| InChi | 1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-37-31(50)22(3)60-39(56)36(37)55)33(52)26(19-59-41)62-40-35(54)34(53)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57 |
| 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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO |
|
SMART | [#6][C@H]1O[C@@H](O)[C@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](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)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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 |