| Compound | 3-beta-O-alpha-L-arabinopyranosyl-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester |
| NPACT-Id | NPACT01550 |
| 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 | GTTLGHQFSHVFQY-XIAIGNJOSA-N |
| InChi | 1S/C41H66O12/c1-20(2)21-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(21)41)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h21-35,42-48H,1,8-19H2,2-7H3/t21-,22?,23+,24?,25?,26?,27-,28?,29+,30+, |
| SMILES | C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(CC1)C1[C@@](CC2)(CC[C@H]1C(=C)C)C(=O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C)C)C)(C)C)OC1OC[C@H]([C@H]([C@@H]1O)O)O |
|
SMART | [#6]C(=C)[C@@H]1CC[C@@]2(CC[C@]3([#6])C(CCC4[C@@]5([#6])CC[C@H](OC6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@]([#6])([#6])C5CC[C@@]34[#6])C12)C(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O |
| 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 |