Term: | gummiferaoside C |
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Accession: | CHEBI:65988
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Definition: | A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. |
Synonyms: | exact_synonym: | beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3-{[6-deoxy-beta-D-galactopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose |
| related_synonym: | Formula=C113H178O50; InChI=1S/C113H178O50/c1-22-107(16,161-99-83(135)73(125)67(119)51(8)146-99)36-26-29-48(5)93(140)155-88-53(10)149-101(86(138)79(88)131)163-109(18,24-3)37-27-30-49(6)94(141)156-87-52(9)148-100(85(137)78(87)130)162-108(17,23-2)35-25-28-47(4)92(139)153-65-42-113(104(142)160-103-91(75(127)70(122)59(44-115)151-103)158-97-84(136)77(129)89(54(11)147-97)157-96-80(132)68(120)57(116)45-143-96)56(40-105(65,12)13)55-31-32-62-110(19)38-34-64(106(14,15)61(110)33-39-111(62,20)112(55,21)41-63(113)117)154-102-90(159-98-82(134)74(126)69(121)58(43-114)150-98)76(128)71(123)60(152-102)46-144-95-81(133)72(124)66(118)50(7)145-95/h22-24,28-31,50-54,56-91,95-103,114-138H,1-3,25-27,32-46H2,4-21H3/b47-28+,48-29+,49-30+/t50-,51-,52-,53-,54-,56+,57-,58-,59-,60-,61+,62-,63-,64+,65+,66+,67-,68+,69-,70-,71-,72+,73+,74+,75+,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,91-,95-,96+,97-,98+,99+,100+,101+,102+,103+,107+,108-,109+,110+,111-,112-,113-/m1/s1; InChIKey=MGIDRSGNPPWHNL-AQNAKNDQSA-N; SMILES=[H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](C)O[C@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23C[C@H](OC(=O)C(\\C)=C\\CC[C@](C)(O[C@@H]4O[C@H](C)[C@@H](OC(=O)C(\\C)=C\\CC[C@@](C)(O[C@@H]5O[C@H](C)[C@@H](OC(=O)C(\\C)=C\\CC[C@@](C)(O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)C=C)[C@H](O)[C@H]5O)C=C)[C@H](O)[C@H]4O)C=C)C(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@H]1O |
| xref: | PMID:17263578; Reaxys:11058835 |
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