1.0 2010-04-08 22:10:46 UTC 2025-11-18 23:46:15 UTC FDB013548 Zizybeoside I Isolated from Zizyphus jujuba (Chinese date). Zizybeoside I is found in fruits. Benzyl 2-O-b-D-glucopyranosyl-b-D-glucopyranoside Benzyl b-sophoropyranoside Zizybeoside I C19H28O11 432.419 432.163161738 2-{[2-(benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2-(benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 76819-28-8 OCC1OC(OC2C(O)C(O)C(CO)OC2OCC2=CC=CC=C2)C(O)C(O)C1O InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2 WKXRKKUZTXIFJY-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 Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.56 ALOGPS logs -1.03 ALOGPS solubility 4.07e+01 g/l ALOGPS melting_point Mp 192-193° logp -2.3 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[2-(benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 432.419 ChemAxon mono_mass 432.163161738 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(CO)OC2OCC2=CC=CC=C2)C(O)C(O)C1O ChemAxon formula C19H28O11 ChemAxon inchi InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2 ChemAxon inchikey WKXRKKUZTXIFJY-UHFFFAOYSA-N ChemAxon polar_surface_area 178.53 ChemAxon refractivity 97.7 ChemAxon polarizability 42.78 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12734 Specdb::MsMs 12735 Specdb::MsMs 12736 Specdb::MsMs 19406 Specdb::MsMs 19407 Specdb::MsMs 19408 Specdb::MsMs 2259227 Specdb::MsMs 2687654 Specdb::MsMs 2687655 Specdb::MsMs 2687656 Specdb::MsMs 2993930 Specdb::MsMs 2993931 Specdb::MsMs 2993932 Specdb::NmrOneD 128688 Specdb::NmrOneD 128689 Specdb::NmrOneD 128690 Specdb::NmrOneD 128691 Specdb::NmrOneD 128692 Specdb::NmrOneD 128693 Specdb::NmrOneD 128694 Specdb::NmrOneD 128695 Specdb::NmrOneD 128696 Specdb::NmrOneD 128697 Specdb::NmrOneD 128698 Specdb::NmrOneD 128699 Specdb::NmrOneD 128700 Specdb::NmrOneD 128701 Specdb::NmrOneD 128702 Specdb::NmrOneD 128703 Specdb::NmrOneD 128704 Specdb::NmrOneD 128705 Specdb::NmrOneD 128706 Specdb::NmrOneD 128707 Specdb::CMs 16573 Specdb::CMs 44106 Specdb::CMs 146222 Specdb::CMs 154718 Specdb::CMs 154720 Specdb::CMs 154722 Specdb::CMs 154724 Specdb::CMs 154727 Specdb::CMs 154729 Specdb::CMs 154731 Specdb::CMs 154733 Specdb::CMs 154735 Specdb::CMs 154737 Specdb::CMs 154739 Specdb::CMs 154741 Specdb::CMs 154743 Specdb::CMs 154745 Specdb::CMs 154747 Specdb::CMs 154749 Specdb::CMs 154752 Specdb::CMs 154754 Specdb::CMs 154756 Specdb::CMs 154758 Specdb::CMs 154759 Specdb::CMs 154761 HMDB34954 #<Reference:0x000055ce3077fc28> Fruits Unknown generic