| Compound | 3-beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT01547 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | BKEJCFWUZDNUMD-XFQPGHIBSA-N |
| InChi | 1S/C47H76O16/c1-21(2)23-11-16-47(42(57)63-40-37(56)35(54)33(52)26(19-48)60-40)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)61-41-38(32(51)25(49)20-58-41)62-39-36(55)34(53)31(50)22(3)59-39/h22-41,48-56H,1,9-20H2,2-8H3/t22-,23+ |
| SMILES | C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@H](CC[C@@]1(CC2)C(=O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C(=C)C)C)C)C)(C)C)OC1OC[C@H]([C@H]([C@@H]1OC1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C)O)O |
|
SMART | [#6][C@H]1OC(O[C@H]2[C@H](O)[C@H](O)COC2O[C@H]2CC[C@@]3([#6])C(CC[C@]4([#6])C3CCC3C5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)C([#6])=C)[C@]2([#6])[#6])[C@@H](O)[C@@H](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 |