1.0 2010-04-08 22:04:50 UTC 2020-02-24 19:10:19 UTC FDB001118 Sambubiose Isolated from Sambucus nigra (elderberry). Sambubiose is found in fruits and black elderberry. Sambubiose C11H20O10 312.2705 312.10564686 6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2,4,5-triol 6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2,4,5-triol 26388-68-1 OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2 BUEBVQCTEJTADB-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 Acetals Disaccharides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.96 ALOGPS logs 0.31 ALOGPS solubility 6.31e+02 g/l ALOGPS melting_point Mp 202-203° logp -4.1 ChemAxon pka_strongest_acidic 11.27 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2,4,5-triol ChemAxon average_mass 312.2705 ChemAxon mono_mass 312.10564686 ChemAxon smiles OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O ChemAxon formula C11H20O10 ChemAxon inchi InChI=1S/C11H20O10/c12-1-4-6(15)7(16)9(10(18)20-4)21-11-8(17)5(14)3(13)2-19-11/h3-18H,1-2H2 ChemAxon inchikey BUEBVQCTEJTADB-UHFFFAOYSA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 62.37 ChemAxon polarizability 28.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18089 Specdb::CMs 41611 Specdb::CMs 147159 Specdb::CMs 147161 Specdb::CMs 147163 Specdb::CMs 147165 Specdb::CMs 147167 Specdb::CMs 147169 Specdb::CMs 152228 Specdb::CMs 279586 Specdb::NmrOneD 159770 Specdb::NmrOneD 159771 Specdb::NmrOneD 159772 Specdb::NmrOneD 159773 Specdb::NmrOneD 159774 Specdb::NmrOneD 159775 Specdb::NmrOneD 159776 Specdb::NmrOneD 159777 Specdb::NmrOneD 159778 Specdb::NmrOneD 159779 Specdb::NmrOneD 159780 Specdb::NmrOneD 159781 Specdb::NmrOneD 159782 Specdb::NmrOneD 159783 Specdb::NmrOneD 159784 Specdb::NmrOneD 159785 Specdb::NmrOneD 159786 Specdb::NmrOneD 159787 Specdb::NmrOneD 159788 Specdb::NmrOneD 159789 Specdb::MsMs 91863 Specdb::MsMs 91864 Specdb::MsMs 91865 Specdb::MsMs 155355 Specdb::MsMs 155356 Specdb::MsMs 155357 Specdb::MsMs 2374140 Specdb::MsMs 2374141 Specdb::MsMs 2374142 Specdb::MsMs 2565123 Specdb::MsMs 2565124 Specdb::MsMs 2565125 HMDB29883 #<Reference:0x00007f416feeefa0> Black elderberry Type 1 specific Sambucus nigra 4202 Fruits Unknown generic