1.0 2010-04-08 22:04:52 UTC 2019-11-26 02:56:04 UTC FDB001182 Cellulose The most abundant organic material found in plants forming the principal constituent of their cell walls giving them structural strength. Anticaking agent, binding agent and other uses in food. 1,4-beta-D-Glucan E460 C12H22O11 342.2965 342.116211546 2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol cellobiose 9004-34-6 OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-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 a disaccharide Solid logp -3.01 ALOGPS logs 0.23 ALOGPS solubility 5.86e+02 g/l ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 ChemAxon inchikey GUBGYTABKSRVRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 31.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1305 Specdb::CMs 24195 Specdb::CMs 41625 Specdb::CMs 116489 Specdb::CMs 117684 Specdb::CMs 123271 Specdb::CMs 124889 Specdb::CMs 126431 Specdb::CMs 126598 Specdb::CMs 127130 Specdb::CMs 822956 Specdb::CMs 822957 Specdb::CMs 822958 Specdb::CMs 822959 Specdb::CMs 822960 Specdb::CMs 822961 Specdb::CMs 822962 Specdb::CMs 822963 Specdb::CMs 822964 Specdb::CMs 822965 Specdb::CMs 822966 Specdb::CMs 822967 Specdb::CMs 822968 Specdb::CMs 822969 Specdb::CMs 822970 Specdb::CMs 822971 Specdb::MsMs 8171 Specdb::MsMs 8172 Specdb::MsMs 8173 Specdb::MsMs 8939 Specdb::MsMs 8940 Specdb::MsMs 8941 Specdb::MsMs 9005 Specdb::MsMs 9006 Specdb::MsMs 9007 Specdb::MsMs 9428 Specdb::MsMs 9429 Specdb::MsMs 9430 Specdb::MsMs 9794 Specdb::MsMs 9795 Specdb::MsMs 9796 Specdb::MsMs 9821 Specdb::MsMs 9822 Specdb::MsMs 9823 Specdb::MsMs 10247 Specdb::MsMs 10248 Specdb::MsMs 10249 Specdb::MsMs 14843 Specdb::MsMs 14844 Specdb::MsMs 14845 Specdb::MsMs 15611 Specdb::NmrOneD 4245 Specdb::NmrOneD 4674 Specdb::NmrOneD 196587 Specdb::NmrOneD 196588 Specdb::NmrOneD 196589 Specdb::NmrOneD 196590 Specdb::NmrOneD 196591 Specdb::NmrOneD 196592 Specdb::NmrOneD 196593 Specdb::NmrOneD 196594 Specdb::NmrOneD 196595 Specdb::NmrOneD 196596 Specdb::NmrOneD 196597 Specdb::NmrOneD 196598 Specdb::NmrOneD 196599 Specdb::NmrOneD 196600 Specdb::NmrOneD 196601 Specdb::NmrOneD 196602 Specdb::NmrOneD 196603 Specdb::NmrOneD 196604 Specdb::NmrOneD 196605 Specdb::NmrOneD 196606 HMDB06944 Arabica coffee Type 1 specific Coffea arabica 13443 Barley Type 1 specific Hordeum vulgare 4513 25600.0 25600.0 25600.0 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 Carob Type 1 specific Ceratonia siliqua 20340 3250.0 3250.0 3250.0 mg/100 g Cherimoya Type 1 specific Annona cherimola 49314 4100.0 4100.0 4100.0 mg/100 g Chicory Type 1 specific Cichorium intybus 13427 Cocoa bean Type 1 specific Theobroma cacao 3641 Coconut Type 1 specific Cocos nucifera 13894 26600.0 26600.0 26600.0 mg/100 g Common hazelnut Type 1 specific Corylus avellana 13451 Common pea Type 1 specific Pisum sativum 3888 8500.0 8500.0 8500.0 mg/100 g Corn Type 1 specific Zea mays 4577 Cottonseed Type 1 specific Gossypium 3633 2150.0 2150.0 2150.0 mg/100 g European chestnut Type 1 specific Castanea sativa 21020 2100.0 2100.0 2100.0 mg/100 g Evening primrose Type 1 specific Oenothera biennis 3942 27000.0 27000.0 27000.0 mg/100 g Flaxseed Type 1 specific Linum usitatissimum 4006 French plantain Type 1 specific Musa X paradisiaca 89151 Garden cress Type 1 specific Lepidium sativum 33125 915.0 915.0 915.0 mg/100 g Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Mexican groundcherry Type 1 specific Physalis philadelphica var. immaculata 374021 1330.0 1330.0 1330.0 mg/100 g Milk (Cow) Type 2 specific 330.0 330.0 330.0 mg/100 g Oat Type 1 specific Avena sativa 4498 32750.0 35000.0 30500.0 mg/100 g Peanut Type 1 specific Arachis hypogaea 3818 3500.0 3500.0 3500.0 mg/100 g Pineapple Type 1 specific Ananas comosus 4615 485.0 485.0 485.0 mg/100 g Potato Type 1 specific Solanum tuberosum 4113 Purslane Type 1 specific Portulaca oleracea 46147 11850.0 11850.0 11850.0 mg/100 g Quince Type 1 specific Cydonia oblonga 36610 Rice Type 1 specific Oryza sativa 4530 31865.0 43730.0 20000.0 mg/100 g Roselle Type 1 specific Hibiscus sabdariffa 183260 16800.0 16800.0 16800.0 mg/100 g Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Sunflower Type 1 specific Helianthus annuus 4232 Tamarind Type 1 specific Tamarindus indica 58860 2500.0 2500.0 2500.0 mg/100 g White mustard Type 1 specific Sinapis alba 3728 Wild leek Type 1 specific Allium ampeloprasum 4681 odorless Glucosylceramidase P04062 GBA Hemostat 976