1.0 2010-04-08 22:10:15 UTC 2019-11-26 03:07:07 UTC FDB012576 Ellagic acid 2-(6-glucosylglucoside) Isolated from guava (Psidium guajava). Ellagic acid 2-(6-glucosylglucoside) is found in fruits and guava. Amritoside Ellagic acid 2-(6-glucosylglucoside) Ellagic acid 2-[glucosyl-(1->6)-glucoside] Ellagic acid 2-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside] C26H26O18 626.4738 626.111914028 6,7,14-trihydroxy-13-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione 6,7,14-trihydroxy-13-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione 2455-85-8 OCC1OC(OCC2OC(OC3=C(O)C4=C5C(=C3)C(=O)OC3=C5C(=CC(O)=C3O)C(=O)O4)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C26H26O18/c27-3-9-14(30)17(33)19(35)25(41-9)39-4-10-15(31)18(34)20(36)26(42-10)40-8-2-6-12-11-5(23(37)44-22(12)16(8)32)1-7(28)13(29)21(11)43-24(6)38/h1-2,9-10,14-15,17-20,25-36H,3-4H2 FHIYBTOOLROABN-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans 7,8-dihydroxycoumarins Acetals Disaccharides Ellagic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2-benzopyran 7,8-dihydroxycoumarin Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Disaccharide Ellagic_acid Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydrolyzable tannin Isocoumarin Lactone O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol logp -0.78 ALOGPS logs -1.80 ALOGPS solubility 1.00e+01 g/l ALOGPS melting_point Mp 248-250° logp -1.7 ChemAxon pka_strongest_acidic 5.83 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6,7,14-trihydroxy-13-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione ChemAxon average_mass 626.4738 ChemAxon mono_mass 626.111914028 ChemAxon smiles OCC1OC(OCC2OC(OC3=C(O)C4=C5C(=C3)C(=O)OC3=C5C(=CC(O)=C3O)C(=O)O4)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C26H26O18 ChemAxon inchi InChI=1S/C26H26O18/c27-3-9-14(30)17(33)19(35)25(41-9)39-4-10-15(31)18(34)20(36)26(42-10)40-8-2-6-12-11-5(23(37)44-22(12)16(8)32)1-7(28)13(29)21(11)43-24(6)38/h1-2,9-10,14-15,17-20,25-36H,3-4H2 ChemAxon inchikey FHIYBTOOLROABN-UHFFFAOYSA-N ChemAxon polar_surface_area 291.82 ChemAxon refractivity 135.17 ChemAxon polarizability 57.17 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25440 Specdb::CMs 43783 Specdb::CMs 566458 Specdb::CMs 566459 Specdb::CMs 566460 Specdb::CMs 566461 Specdb::CMs 566462 Specdb::CMs 566463 Specdb::CMs 566464 Specdb::CMs 566465 Specdb::CMs 566466 Specdb::CMs 566467 Specdb::CMs 566468 Specdb::CMs 566469 Specdb::CMs 566470 Specdb::CMs 566471 Specdb::CMs 566472 Specdb::CMs 566473 Specdb::CMs 566474 Specdb::CMs 566475 Specdb::CMs 566476 Specdb::CMs 566477 Specdb::CMs 566478 Specdb::CMs 566479 Specdb::CMs 566480 Specdb::NmrOneD 125338 Specdb::NmrOneD 125339 Specdb::NmrOneD 125340 Specdb::NmrOneD 125341 Specdb::NmrOneD 125342 Specdb::NmrOneD 125343 Specdb::NmrOneD 125344 Specdb::NmrOneD 125345 Specdb::NmrOneD 125346 Specdb::NmrOneD 125347 Specdb::NmrOneD 125348 Specdb::NmrOneD 125349 Specdb::NmrOneD 125350 Specdb::NmrOneD 125351 Specdb::NmrOneD 125352 Specdb::NmrOneD 125353 Specdb::NmrOneD 125354 Specdb::NmrOneD 125355 Specdb::NmrOneD 125356 Specdb::NmrOneD 125357 Specdb::MsMs 7025 Specdb::MsMs 7026 Specdb::MsMs 7027 Specdb::MsMs 13697 Specdb::MsMs 13698 Specdb::MsMs 13699 Specdb::MsMs 2290722 Specdb::MsMs 2290723 Specdb::MsMs 2290724 Specdb::MsMs 2644791 Specdb::MsMs 2644792 Specdb::MsMs 2644793 HMDB34258 #<Reference:0x000055ce32265da8> Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290