| Compound | 3-beta-O-(beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)-hederagenin-28-O-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT01564 |
| 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 | YYYLPEAXPZQOTC-XAKDNKFESA-N |
| InChi | 1S/C59H98O27/c1-24-34(65)46(84-49-42(73)39(70)37(68)29(20-61)80-49)44(75)51(78-24)85-47-35(66)27(64)22-77-52(47)82-33-11-12-55(4)31(56(33,5)23-63)10-13-58(7)32(55)9-8-25-26-18-54(2,3)14-16-59(26,17-15-57(25,58)6)53(76)86-50-43(74)40(71)45(30(21-62)81-50)8 |
| SMILES | C1C[C@@H]([C@@](C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1C(C(C(C(O1)CO)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)C)(C)CO)OC1OC[C@H]([C@H]([C@@H]1OC1O[C@@H]([C@H]([C@@H]([C@@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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])C3CCC3C5C[C@]([#6])([#6])CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3OC(CO)C(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)C3O)[C@]2([#6])CO)[C@@H](O)[C@@H](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 |