1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:21 UTC FDB018585 Afrormosin 7-(6-malonylglucoside) Isolated from Medicago sativa (alfalfa). Afrormosin 7-(6-malonylglucoside) is found in pulses. 6''-O-Malonylwistin 7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-succinylglucoside) Afrormosin 7-(6-malonyl-b-D-glucoside) Afrormosin 7-(6-malonylglucoside) Afrormosin 7-O-(6-O-malonyl-b-D-glucopyranoside) Glycitein 7-O-(6''-succinylglucoside) C26H26O13 546.4768 546.137340918 3-oxo-3-[(3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 3-oxo-3-[(3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 163310-44-9 COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C(OC)C=C2C1=O InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28) HOWDEROVXAADRI-UHFFFAOYSA-N belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed). Physalins and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Physalins and derivatives Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dicarboxylic acids and derivatives Furanones Gamma butyrolactones Hydrocarbon derivatives Ketals Organic oxides Oxacyclic compounds Oxanes Oxepanes Secondary alcohols Tertiary alcohols Tetrahydrofurans 3-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Ketal Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Physalin skeleton Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 1.14 ALOGPS logs -3.25 ALOGPS solubility 3.04e-01 g/l ALOGPS logp 0.78 ChemAxon pka_strongest_acidic 3.35 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-oxo-3-[(3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid ChemAxon average_mass 546.4768 ChemAxon mono_mass 546.137340918 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)=C(OC)C=C2C1=O ChemAxon formula C26H26O13 ChemAxon inchi InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28) ChemAxon inchikey HOWDEROVXAADRI-UHFFFAOYSA-N ChemAxon polar_surface_area 187.51 ChemAxon refractivity 128.29 ChemAxon polarizability 53.46 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13672 Specdb::CMs 46251 Specdb::CMs 281610 Specdb::CMs 302244 Specdb::CMs 302245 Specdb::CMs 302246 Specdb::CMs 302247 Specdb::CMs 302248 Specdb::CMs 302249 Specdb::CMs 302250 Specdb::CMs 302251 Specdb::CMs 302252 Specdb::CMs 302253 Specdb::CMs 302254 Specdb::CMs 302255 Specdb::CMs 302256 Specdb::CMs 302257 Specdb::CMs 302258 Specdb::CMs 302259 Specdb::CMs 302260 Specdb::CMs 302261 Specdb::CMs 302262 Specdb::CMs 302263 Specdb::CMs 302264 Specdb::CMs 302265 Specdb::MsMs 12170 Specdb::MsMs 12171 Specdb::MsMs 12172 Specdb::MsMs 18842 Specdb::MsMs 18843 Specdb::MsMs 18844 Specdb::MsMs 2242440 Specdb::MsMs 2243434 Specdb::MsMs 3054290 Specdb::MsMs 3054291 Specdb::MsMs 3054292 Specdb::MsMs 3115557 Specdb::MsMs 3115558 Specdb::MsMs 3115559 HMDB39083 #<Reference:0x000055ce31bc9ad0> Pulses Unknown generic