1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:39 UTC FDB011880 Umbelliferose Isolated from roots of Angelica archangelica (angelica) and other subspecies in the Umbelliferae. Umbelliferose is found in many foods, some of which are carrot, green vegetables, wild carrot, and fats and oils. b-D-Fructofuranosyl O-a-D-galactopyranosyl-(1->2)-a-D-glucopyranoside, 9CI C18H32O16 504.4371 504.169034976 2-[(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 546-60-1 OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2 LNRUEZIDUKQGRH-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds C-glycosyl compounds Disaccharides Hydrocarbon derivatives Ketals Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Disaccharide Hydrocarbon derivative Ketal O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -3.34 ALOGPS logs 0.19 ALOGPS solubility 7.80e+02 g/l ALOGPS logp -6.3 ChemAxon pka_strongest_acidic 11.79 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-[(2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2 ChemAxon inchikey LNRUEZIDUKQGRH-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 101.19 ChemAxon polarizability 46.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16004 Specdb::CMs 43480 Specdb::CMs 169233 Specdb::CMs 169235 Specdb::CMs 169237 Specdb::CMs 169239 Specdb::CMs 169242 Specdb::CMs 169244 Specdb::CMs 169246 Specdb::CMs 169248 Specdb::CMs 169250 Specdb::CMs 169252 Specdb::CMs 169254 Specdb::CMs 169257 Specdb::CMs 169260 Specdb::CMs 169262 Specdb::CMs 169264 Specdb::CMs 169266 Specdb::CMs 169268 Specdb::CMs 169271 Specdb::CMs 169273 Specdb::CMs 169275 Specdb::CMs 169277 Specdb::CMs 169279 Specdb::CMs 169281 Specdb::MsMs 109680 Specdb::MsMs 109681 Specdb::MsMs 109682 Specdb::MsMs 177177 Specdb::MsMs 177178 Specdb::MsMs 177179 Specdb::MsMs 2329143 Specdb::MsMs 2329144 Specdb::MsMs 2329145 Specdb::MsMs 2636020 Specdb::MsMs 2636021 Specdb::MsMs 2636022 Specdb::NmrOneD 122018 Specdb::NmrOneD 122019 Specdb::NmrOneD 122020 Specdb::NmrOneD 122021 Specdb::NmrOneD 122022 Specdb::NmrOneD 122023 Specdb::NmrOneD 122024 Specdb::NmrOneD 122025 Specdb::NmrOneD 122026 Specdb::NmrOneD 122027 Specdb::NmrOneD 122028 Specdb::NmrOneD 122029 Specdb::NmrOneD 122030 Specdb::NmrOneD 122031 Specdb::NmrOneD 122032 Specdb::NmrOneD 122033 Specdb::NmrOneD 122034 Specdb::NmrOneD 122035 Specdb::NmrOneD 122036 Specdb::NmrOneD 122037 HMDB33748 9859 #<Reference:0x000055ce320ba1e8> Carrot Type 1 specific Daucus carota ssp. sativus 79200 Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic Wild carrot Type 1 specific Daucus carota 4039