1.0 2010-04-08 22:10:42 UTC 2025-11-18 23:44:29 UTC FDB013421 Torososide B Constituent of the seeds of sickle pod Cassia torosa. Torososide B is found in cereals and cereal products and pulses. Torososide B C40H52O25 932.8259 932.279767214 1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione 1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1 InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3 PIFVMMPDYLWDPU-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 heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Anthraquinones Aryl ketones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Acetal Alcohol Alkyl aryl ether Anisole Anthracene Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Benzenoid Ether Glycosyl compound Hydrocarbon derivative Ketone O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -1.01 ALOGPS logs -1.70 ALOGPS solubility 1.85e+01 g/l ALOGPS melting_point Mp 208-209° logp -4.3 ChemAxon pka_strongest_acidic 9.49 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-hydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 932.8259 ChemAxon mono_mass 932.279767214 ChemAxon smiles COC1=CC2=C(C(=O)C3=C(C=C(C)C=C3O)C2=O)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)=C1 ChemAxon formula C40H52O25 ChemAxon inchi InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3 ChemAxon inchikey PIFVMMPDYLWDPU-UHFFFAOYSA-N ChemAxon polar_surface_area 400.43 ChemAxon refractivity 206 ChemAxon polarizability 89.75 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 25 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 127888 Specdb::NmrOneD 127889 Specdb::NmrOneD 127890 Specdb::NmrOneD 127891 Specdb::NmrOneD 127892 Specdb::NmrOneD 127893 Specdb::NmrOneD 127894 Specdb::NmrOneD 127895 Specdb::NmrOneD 127896 Specdb::NmrOneD 127897 Specdb::NmrOneD 127898 Specdb::NmrOneD 127899 Specdb::NmrOneD 127900 Specdb::NmrOneD 127901 Specdb::NmrOneD 127902 Specdb::NmrOneD 127903 Specdb::NmrOneD 127904 Specdb::NmrOneD 127905 Specdb::NmrOneD 127906 Specdb::NmrOneD 127907 Specdb::MsMs 69321 Specdb::MsMs 69322 Specdb::MsMs 69323 Specdb::MsMs 127578 Specdb::MsMs 127579 Specdb::MsMs 127580 Specdb::MsMs 2366092 Specdb::MsMs 2366093 Specdb::MsMs 2366094 Specdb::MsMs 2598976 Specdb::MsMs 2598977 Specdb::MsMs 2598978 HMDB34855 #<Reference:0x000055ce30a9ddd8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Pulses Unknown generic