Solatriose structure

Solatriose

(2S,3R,4R,5R,6S)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Also Known As: Solatriose|Solasonine|Alpha-solamargine|SOLANINE|GlyTouCan:G24526VO|G24526VO|alpha-L-Rhap-(1->2)-[beta-D-Glcp-(1->3)]-D-Gal|alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-D-galactose|O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-D-galactose|alpha-L-rhamnopyranosyl-(1->2)-(beta-D-glucopyranosyl-(1->3))-D-galactose|(2S,3R,4R,5R,6S)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol|1,3-Cyclobutanedicarboxylic acid,2,4-bis(4-hydroxyphenyl)-,bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester,(1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)

CAS: 528-40-5
Molecular Formula C18H32O15
Molecular Weight 488.17413 g/mol
LogP -6.5454
Topological Polar Surface Area 248.45 Ų
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 15
Rotatable Bonds 6
Exact Mass 488.17413
Monoisotopic Mass 488.17413
Heavy Atoms 33
Complexity 623.64874

Chemical Identifiers

CAS Number 528-40-5
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Product Overview

Solatriose (CAS 528-40-5), with molecular formula C18H32O15 and molecular weight 488.17413 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

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