1.0 2010-04-08 22:15:18 UTC 2025-11-19 02:34:04 UTC FDB020843 Sophorotriose Present in potato and pea plants. Sophorotriose is found in alcoholic beverages, pulses, and potato. Sophorotriose C18H32O16 504.4371 504.169034976 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4,5-triol 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4,5-triol 32581-40-1 OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2 UQBIAGWOJDEOMN-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.70 ALOGPS logs 0.08 ALOGPS solubility 6.12e+02 g/l ALOGPS melting_point Mp 218-223° logp -6.5 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2 ChemAxon inchikey UQBIAGWOJDEOMN-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 100.75 ChemAxon polarizability 46.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 44362 Specdb::NmrOneD 44363 Specdb::NmrOneD 44364 Specdb::NmrOneD 44365 Specdb::NmrOneD 44366 Specdb::NmrOneD 44367 Specdb::NmrOneD 44368 Specdb::NmrOneD 44369 Specdb::NmrOneD 44370 Specdb::NmrOneD 44371 Specdb::NmrOneD 44372 Specdb::NmrOneD 44373 Specdb::NmrOneD 44374 Specdb::NmrOneD 44375 Specdb::NmrOneD 44376 Specdb::NmrOneD 44377 Specdb::NmrOneD 44378 Specdb::NmrOneD 44379 Specdb::NmrOneD 44380 Specdb::NmrOneD 44381 Specdb::CMs 20558 Specdb::CMs 47051 Specdb::CMs 169933 Specdb::CMs 169935 Specdb::CMs 169937 Specdb::CMs 169939 Specdb::CMs 169943 Specdb::CMs 169945 Specdb::CMs 169947 Specdb::CMs 169949 Specdb::CMs 169951 Specdb::CMs 169954 Specdb::CMs 169956 Specdb::CMs 169958 Specdb::CMs 169961 Specdb::CMs 169963 Specdb::CMs 169965 Specdb::CMs 169967 Specdb::CMs 169969 Specdb::CMs 169971 Specdb::CMs 169973 Specdb::CMs 169975 Specdb::CMs 169977 Specdb::CMs 169979 Specdb::CMs 169981 Specdb::MsMs 8510 Specdb::MsMs 8511 Specdb::MsMs 8512 Specdb::MsMs 10862 Specdb::MsMs 10863 Specdb::MsMs 10864 Specdb::MsMs 15182 Specdb::MsMs 15183 Specdb::MsMs 15184 Specdb::MsMs 17534 Specdb::MsMs 17535 Specdb::MsMs 17536 Specdb::MsMs 2340666 Specdb::MsMs 2340667 Specdb::MsMs 2340668 Specdb::MsMs 2625671 Specdb::MsMs 2625672 Specdb::MsMs 2625673 HMDB40984 #<Reference:0x000055ce32a66c00> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic