AC1L4G6L

2-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one

Also Known As: J2.407.431E|Glycine, N,N-bis(carboxymethyl)-, magnesium salt|4H-1-Benzopyran-4-one, 2-(4-((4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-5,7-dimethoxy-|4 -[(4-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dimethoxyflavanone|2-(4-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one|2-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one|4-(5,7-Dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|4-(5,7-Dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl 4-O-(6-deoxyhexopyranosyl)hexopyranoside

Molecular Formula	C29H36O14
Molecular Weight	608.2105 g/mol
LogP	-1.0
Topological Polar Surface Area	203.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	608.2105
Monoisotopic Mass	608.2105
Heavy Atoms	43
Complexity	916.0

Chemical Identifiers

CAS Number	73772-90-4
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=CC=C(C=C3)C4CC(=O)C5=C(O4)C=C(C=C5OC)OC)CO)O)O)O
InChIKey	HDSXTURQGPCWIN-XLAMLZFMSA-N