| Compound | 3-O-alpha-L-Rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT00144 |
| 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 | FAQCEVCPOQNUPI-OPGBCXGKSA-N |
| InChi | 1S/C64H104O31/c1-24-34(68)38(72)42(76)52(86-24)92-48-29(21-66)88-54(46(80)41(48)75)93-55-44(78)40(74)45(79)56(94-55)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-67)31(60)11-14-63(32,8)62(26,7)16-18-64)90-57-50(91-49-35(69)25(2)85-51( |
| 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[C@@H]2O[C@H]([C@H]([C@H]([C@@H]2O)O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)C)CO)CCC(C1)(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=C3[C@H]5C[C@@]([#6])([#6])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@]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 |