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CHEBI:66464 - E-senegasaponin a
| Formula | C74H110O35 |
| Net Charge | 0 |
| Average Mass | 1559.659 |
| Monoisotopic Mass | 1558.68277 |
| SMILES | [H][C@@]1(O[C@@H]2[C@@H](O[C@]3([H])OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@]([H])(O[C@H]3[C@H](OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)C[C@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(C(=O)O)[C@]7([H])CC[C@@]6(C)[C@]4(CO)CC5)O[C@H](C)[C@H](OC(=O)/C=C/c4ccc(OC)cc4)[C@@H]3O)O[C@H]2C)OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C74H110O35/c1-31-54(104-43(80)16-11-33-9-12-34(96-8)13-10-33)52(89)57(107-63-53(90)56(106-65-58(91)74(95,29-78)30-98-65)55(32(2)99-63)105-60-49(86)46(83)40(27-97-60)103-61-50(87)47(84)44(81)38(25-75)101-61)64(100-31)109-67(94)72-20-19-68(3,4)23-36(72)35-14-15-41-69(5)24-37(79)59(108-62-51(88)48(85)45(82)39(26-76)102-62)71(7,66(92)93)42(69)17-18-70(41,6)73(35,28-77)22-21-72/h9-14,16,31-32,36-42,44-65,75-79,81-91,95H,15,17-30H2,1-8H3,(H,92,93)/b16-11+/t31-,32+,36+,37+,38-,39-,40-,41-,42-,44+,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55+,56+,57-,58+,59+,60+,61+,62+,63+,64+,65+,69-,70-,71+,72+,73+,74-/m1/s1 |
| InChIKey | MHKVFEQHYBEOHA-IONNRMTHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Polygala senega var. latifolia (IPNI:205849-2) | root (BTO:0001188) | PubMed (8582013) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | hypoglycemic agent A drug which lowers the blood glucose level. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| E-senegasaponin a (CHEBI:66464) is a senegasaponin a (CHEBI:74453) |
| IUPAC Name |
|---|
| β-D-galactopyranosyl-(1→4)-β-D-xylopyranosyl-(1→4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-α-L-mannopyranosyl-(1→2)-6-deoxy-1-O-[(2β,3β)-3-(β-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-4-O-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-β-D-galactopyranose |
| Synonym | Source |
|---|---|
| 3-O-β-D-glucopyranosylpresenegenin 28-O-{[β-D-apiofuranosyl(1→3)][β-D-galactopyranosyl(1→4)-β-D-xylopyranosyl(1→4)]-α-L-rhamnopyranosyl(1→3)}{4-O-(E)-4"-methoxycinnamoyl}-β-D-fucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7333709 | Reaxys |
| Citations |
|---|