| Compound | (25R)-5-alpha-spirostane-2-alpha,3-beta-diol 3-O-{O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside} |
| NPACT-Id | NPACT00011 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | 16401692 |
| Class | Steroids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | REIZDYUGEPBIJP-JTBVDRCPSA-N |
| InChi | 1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-4 |
| SMILES | O1[C@@H]2[C@@H]([C@@]3([C@@H]([C@H]4[C@@H]([C@@]5([C@@H]([C@@H](O)C4)C[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]6O[C@H]([C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@H]6O[C@H]([C@H](O)[C@@H](O)[C@@H]6O)CO)CO)[C@H](O)[C@H]4O)CO)[C@H](O)C5)C)CC3)C2)C)[C@@H]([C@@]21OC[C@@H](CC2)C)C |
|
SMART | [#6][C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5([#6])[C@H]4CC[C@]23[#6])O[C@]11CC[C@@H]([#6])CO1 |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | Ambinter, MolPort, |
| 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 |