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CHEBI:228327 - Onjisaponin G

ChEBI IDCHEBI:228327
ChEBI NameOnjisaponin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H104O32
Net Charge0
Average Mass1457.570
Monoisotopic Mass1456.65107
SMILESCOc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@H](OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)O[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C70H104O32/c1-30-50(97-42(76)14-11-32-21-37(89-8)52(91-10)38(22-32)90-9)48(82)54(100-59-49(83)53(99-61-55(84)70(88,28-73)29-93-61)51(31(2)94-59)98-57-46(80)43(77)36(75)26-92-57)60(95-30)102-63(87)68-18-17-64(3,4)23-34(68)33-12-13-40-65(5)24-35(74)56(101-58-47(81)45(79)44(78)39(25-71)96-58)67(7,62(85)86)41(65)15-16-66(40,6)69(33,27-72)20-19-68/h11-12,14,21-22,30-31,34-36,39-41,43-51,53-61,71-75,77-84,88H,13,15-20,23-29H2,1-10H3,(H,85,86)/b14-11+/t30-,31+,34?,35?,36-,39-,40?,41?,43+,44-,45+,46-,47-,48+,49-,50+,51+,53+,54-,55+,56?,57+,58+,59+,60+,61+,65?,66?,67?,68?,69?,70-/m1/s1
InChIKeyCENRZIDATJANJW-YQSNEWHASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Onjisaponin G (CHEBI:228327) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid