| Compound | 3-beta-O-beta-D-xylopyranosyl-olean-12-ene-28-O-(alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl)ester |
| NPACT-Id | NPACT01556 |
| 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 | QWWZYZQLVRVTRZ-XGXWWDDRSA-N |
| InChi | 1S/C54H87O19/c1-25-36(58)43(72-47-41(63)39(61)44(31(22-56)70-47)71-42-26(2)67-45(64)40(62)38(42)60)30(21-55)69-46(25)73-48(65)54-18-16-49(3,4)20-28(54)27-10-11-34-51(7)14-13-35(68-32-24-66-23-29(57)37(32)59)50(5,6)33(51)12-15-53(34,9)52(27,8)17-19-54/h10, |
| SMILES | [C@@H]1([CH]OC[C@@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CC=C2[C@]1(CC[C@@]1(C2CC(CC1)(C)C)C(=O)O[C@H]1C(C)C([C@@H](C(O1)CO)OC1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1C)O)O)O)O)O)O)C)C)C |
|
SMART | [#6][C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC1[C@H](O)[C@@H](O)C(O[C@H]2C(O)C([#6])[C@H](OC(=O)[C@]34CC[C@@]([#6])([#6])CC3C3=CCC5[C@@]6([#6])CC[C@H](O[C@H]7[C]OC[C@@H](O)[C@@H]7O)[C@@]([#6])([#6])C6CC[C@@]5([#6])[C@]3([#6])CC4)OC2CO)O[C@@H]1CO |
| 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 |