Ajugose

(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Ajugose|D-AJUGOSE|GlyTouCan:G07095PT|Methylsulfuric Acid Sodium Salt|CPD-8066|G07095PT|HY-N12154|(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose|(2S,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol|(2S,3R,4S,5R,6R)-2-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3R,4S,5R,6S)-6-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl)methoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3R,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,|alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Galp-(1-6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf|beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside|beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf

Molecular Formula	C36H62O31
Molecular Weight	990.3275 g/mol
LogP	-12.3
Topological Polar Surface Area	506.0 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	31
Rotatable Bonds	17
Exact Mass	990.3275
Monoisotopic Mass	990.3275
Heavy Atoms	67
Complexity	1530.0

Chemical Identifiers

CAS Number	512-72-1
SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChIKey	NCIHJQNXRKJRMJ-HKJJPIHFSA-N