| Compound | 3-beta-O-[beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl]olean-12-ene-28-O-[beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl (1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]ester |
| NPACT-Id | NPACT01549 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FMOKCNNKLWGCNB-GSOFGZKDSA-N |
| InChi | 1S/C71H116O36/c1-25-36(75)43(82)56(64(95-25)104-54-39(78)30(22-73)98-58(92)50(54)89)105-63-47(86)42(81)46(85)62(107-63)101-35-13-14-68(7)33(67(35,5)6)12-15-70(9)34(68)11-10-27-28-20-66(3,4)16-18-71(28,19-17-69(27,70)8)65(93)106-55-40(79)31(23-74)99-59(51( |
| SMILES | C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@]([CH]C2)(CCC(C1)(C)C)C(=O)OC1[C@H]([C@H](O[C@H](CO)[C@H]1O)OC[C@H]1O[C@H](OC2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)OC2[C@H]([C@H](O[C@H](CO)[C@@H]2O)O)O)C)[C@H](O)[C@@H](O)[C@@H]1O)O)C)C)C)(C)C)OC1[C@@H](O)[C@H]([C@@H]([C@H](O1)OC1[C@@H]([C@H]([C@@H](O[C@H]1OC1[C@@H]([C@H](O[C@H](CO)[C@H]1O)O)O)C)O)O)O)O |
|
SMART | [H]C1C[C@]2([#6])C(=CCC3[C@@]4([#6])CC[C@H](OC5O[C@H](OC6[C@H](O)[C@@H](O)[C@H]([#6])O[C@H]6OC6[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@]([#6])([#6])C4CC[C@@]23[#6])C2C[C@]([#6])([#6])CC[C@]12C(=O)OC1[C@H](O)[C@@H](CO)O[C@H](OC[C@H]2O[C@H](OC3[C@H]([#6])O[C@@H](OC4[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]4O)[C@H](O)[C@@H]3O)[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 |