| Compound | 3-beta-O-(alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl-olean-12-ene-28-O-(beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester |
| NPACT-Id | NPACT01559 |
| 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 | VCWBIRAXNDVRRP-KPKJWSFNSA-N |
| InChi | 1S/C60H100O23/c1-11-31-32(77-50-43(69)40(66)39(65)33(24-61)78-50)22-26(2)49(76-31)83-54(73)60-20-18-55(4,5)23-29(60)28-12-13-35-57(8)16-15-36(56(6,7)34(57)14-17-59(35,10)58(28,9)19-21-60)79-53-47(38(64)30(62)25-74-53)81-52-45(71)46(37(63)27(3)75-52)80-51- |
| 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@H](C(O1)CC)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C)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)O)O)C)O)O |
|
SMART | [#6]CC1O[C@@H](OC(=O)[C@]23CC[C@@]([#6])([#6])CC2C2CCC4[C@@]5([#6])CC[C@H](OC6OC[C@@H](O)[C@@H](O)[C@@H]6OC6O[C@H]([#6])[C@@H](O)[C@H](O[C@@H]7O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)[C@]([#6])([#6])C5CC[C@@]4([#6])[C@]2([#6])CC3)C([#6])C[C@H]1OC1O[C@H](CO)[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 |