| 2D Structure | |
| CID | 71581001 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-45-39(62)35(58)32(55)21(2)66-45)41(64)42(30(18-54)70-47)71-46-40(63)37(60)34(57)29(17-53)69-46/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50-,51-/m0/s1 |
| InChI Key | XNKSKPFVXMYCKU-QTPGKRPGSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C51H82O23 |
| Molecular Weight | 1063.2 |
| synonyms | ['CHEBI:2937', 'nuatigenin 3-O-{alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}-26-O-beta-D-glucopyranoside', '(3beta,22S,25S)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranosyl]oxy}-22,25-epoxyfurost-5-en-26-yl beta-D-glucopyranoside', '(3beta,22S,25S)-3-((6-deoxy-alpha-L-mannopyranosyl-(1->2)-(beta-D-glucopyranosyl-(1->4))-beta-D-glucopyranosyl)oxy)-22,25-epoxyfurost-5-en-26-yl beta-D-glucopyranoside', 'Nuatigenin 3-O-(alpha-L-rhamnopyranosyl-(1->2)-(beta-D-glucopyranosyl-(1->4))-beta-D-glucopyranoside)-26-O-beta-D-glucopyranoside', 'RefChem:115746', 'nuatigenin 3-O-(alpha-L-rhamnopyranosyl-(1-2)-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside)-26-O-beta-D-glucopyranoside', "(2S,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-((1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)spiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxolane)-16-yl)oxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol", '24915-65-9', 'Avenacoside A', 'SCHEMBL30834767', 'C08887', 'Q27105892', '3-O-{alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}-26-O-beta-D-glucopyranoside'] |
From Pubchem