1.0 2010-04-08 22:10:46 UTC 2019-11-26 03:08:35 UTC FDB013549 Zizybeoside II Constituent of dried fruits of Chinese jujube (Zizyphus jujuba). Zizybeoside II is found in fruits. Zizybeoside II C25H38O16 594.5596 594.215985168 2-{[2-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 81417-79-0 OCC1OC(OC2C(O)C(CO)OC(OCC3=CC=CC=C3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2 BEDWWZCYHCGAKV-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 Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Glycosyl compound Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.83 ALOGPS logs -0.88 ALOGPS solubility 7.79e+01 g/l ALOGPS melting_point Mp 237-238° logp -4.1 ChemAxon pka_strongest_acidic 11.88 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[2-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 594.5596 ChemAxon mono_mass 594.215985168 ChemAxon smiles OCC1OC(OC2C(O)C(CO)OC(OCC3=CC=CC=C3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C25H38O16 ChemAxon inchi InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2 ChemAxon inchikey BEDWWZCYHCGAKV-UHFFFAOYSA-N ChemAxon polar_surface_area 257.68 ChemAxon refractivity 130.11 ChemAxon polarizability 58.11 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9134 Specdb::MsMs 9135 Specdb::MsMs 9136 Specdb::MsMs 15806 Specdb::MsMs 15807 Specdb::MsMs 15808 Specdb::MsMs 2438311 Specdb::MsMs 2438312 Specdb::MsMs 2438313 Specdb::MsMs 2528253 Specdb::MsMs 2528254 Specdb::MsMs 2528255 Specdb::CMs 20616 Specdb::CMs 44107 Specdb::CMs 283003 Specdb::CMs 443211 Specdb::CMs 443212 Specdb::CMs 443213 Specdb::CMs 443214 Specdb::CMs 443215 Specdb::CMs 443216 Specdb::CMs 443217 Specdb::CMs 443218 Specdb::CMs 443219 Specdb::CMs 443220 Specdb::CMs 443221 Specdb::CMs 443222 Specdb::CMs 443223 Specdb::CMs 443224 Specdb::CMs 443225 Specdb::CMs 443226 Specdb::CMs 443227 Specdb::CMs 443228 Specdb::CMs 443229 Specdb::CMs 443230 Specdb::CMs 443231 Specdb::CMs 443232 Specdb::NmrOneD 128708 Specdb::NmrOneD 128709 Specdb::NmrOneD 128710 Specdb::NmrOneD 128711 Specdb::NmrOneD 128712 Specdb::NmrOneD 128713 Specdb::NmrOneD 128714 Specdb::NmrOneD 128715 Specdb::NmrOneD 128716 Specdb::NmrOneD 128717 Specdb::NmrOneD 128718 Specdb::NmrOneD 128719 Specdb::NmrOneD 128720 Specdb::NmrOneD 128721 Specdb::NmrOneD 128722 Specdb::NmrOneD 128723 Specdb::NmrOneD 128724 Specdb::NmrOneD 128725 Specdb::NmrOneD 128726 Specdb::NmrOneD 128727 HMDB34955 #<Reference:0x000055ce3101fcc0> Fruits Unknown generic