1.0 2010-04-08 22:09:45 UTC 2019-11-26 03:05:10 UTC FDB011633 Juglone glucoside Isolated from pecan nuts. Juglone glucoside is found in nuts. 5-Hydroxy-1,4-naphthoquinone glucoside 5-Hydroxy-1,4-naphthoquinone O-b-D-glucopyranoside 5-Hydroxy-1,4-naphthoquinone O-b-D-glucoside Juglone glucoside C16H16O8 336.2934 336.084517488 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dione 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-1,4-dione 22427-35-6 OCC1OC(OC2=CC=CC3=C2C(=O)C=CC3=O)C(O)C(O)C1O InChI=1S/C16H16O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-17,20-22H,6H2 AAYYJBZZHJNMEO-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Acetals Aryl ketones Hexoses Hydrocarbon derivatives Naphthoquinones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Quinones Secondary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Aryl ketone Benzenoid Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Naphthalene Naphthoquinone O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Quinone Secondary alcohol logp -0.05 ALOGPS logs -1.52 ALOGPS solubility 1.01e+01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 336.2934 ChemAxon mono_mass 336.084517488 ChemAxon smiles OCC1OC(OC2=CC=CC3=C2C(=O)C=CC3=O)C(O)C(O)C1O ChemAxon formula C16H16O8 ChemAxon inchi InChI=1S/C16H16O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-17,20-22H,6H2 ChemAxon inchikey AAYYJBZZHJNMEO-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 80.31 ChemAxon polarizability 31.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19778 Specdb::CMs 43363 Specdb::CMs 131299 Specdb::CMs 139033 Specdb::MsMs 62613 Specdb::MsMs 62614 Specdb::MsMs 62615 Specdb::MsMs 119367 Specdb::MsMs 119368 Specdb::MsMs 119369 Specdb::MsMs 3044863 Specdb::MsMs 3044864 Specdb::MsMs 3044865 Specdb::MsMs 3099358 Specdb::MsMs 3099359 Specdb::MsMs 3099360 Specdb::NmrOneD 120678 Specdb::NmrOneD 120679 Specdb::NmrOneD 120680 Specdb::NmrOneD 120681 Specdb::NmrOneD 120682 Specdb::NmrOneD 120683 Specdb::NmrOneD 120684 Specdb::NmrOneD 120685 Specdb::NmrOneD 120686 Specdb::NmrOneD 120687 Specdb::NmrOneD 120688 Specdb::NmrOneD 120689 Specdb::NmrOneD 120690 Specdb::NmrOneD 120691 Specdb::NmrOneD 120692 Specdb::NmrOneD 120693 Specdb::NmrOneD 120694 Specdb::NmrOneD 120695 Specdb::NmrOneD 120696 Specdb::NmrOneD 120697 HMDB33563 #<Reference:0x000055ce317d0dc0> Nuts Unknown generic