CHEBI:193036 - 5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside
ChEBI ID CHEBI:193036
ChEBI ASCII Name 5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H50O12
Net Charge 0
Average Mass 650.762
Monoisotopic Mass 650.33023
InChI InChI=1S/C34H50O12/c1-16-12-22(45-29(41)19(16)15-44-30-28(40)27(39)26(38)23(14-35)46-30)17(2)33(42)11-8-20-18-13-25(37)34(43)9-5-6-24(36)32(34,4)21(18)7-10-31(20,33)3/h5-6,17-18,20-23,25-28,30,35,37-40,42-43H,7-15H2,1-4H3/t17-,18+,20+,21+,22-,23-,25-,26-,27+,28-,30-,31+,32+,33+,34+/m1/s1
InChIKey GEXURBSESGZMHD-WBFXMXERSA-N
SMILES O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)OCC=2C(O[C@@]([C@H]([C@@]3(O)CC[C@]4([C@@]5(C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@]5(CC[C@@]43C)[H])C)O)O)[H])[H])C)(CC2C)[H])=O)CO
ChEBI Ontology
Outgoing 5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a β-D-glucoside (CHEBI:22798)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a δ-lactone (CHEBI:18946)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 17α-hydroxy steroid (CHEBI:35342)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 5α-hydroxy steroid (CHEBI:38194)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 6β-hydroxy steroid (CHEBI:36851)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a enone (CHEBI:51689)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a monosaccharide derivative (CHEBI:63367)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a secondary alcohol (CHEBI:35681)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a sterol 27-β-D-glucosides (CHEBI:193032)
Synonym Source
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside UniProt
Citation Waiting for Citations Type Source
17704015 PubMed citation SUBMITTER