1.0 2010-04-08 22:14:26 UTC 2019-11-26 03:17:38 UTC FDB019570 Isotectorigenin 4'-glucoside 7-rhamnoside Constituent of the aerial parts of Salvia triloba (greek sage). Isotectorigenin 4'-glucoside 7-rhamnoside is found in herbs and spices. 4',5,7-Trihydroxy-8-methoxyisoflavone 4'-O-b-D-glucopyranoside 7-O-a-L-rhamnopyranoside Isotectorigenin 4'-glucoside 7-rhamnoside Isotectorigenin 4'-O-b-D-glucopyranoside 7-O-a-L-rhamnopyranoside Isotectorigenin 4'-O-b-D-glucoside 7-O-a-L-rhamnoside C28H32O15 608.5447 608.174120354 5-hydroxy-8-methoxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-8-methoxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 302-72-7 COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)42-15-7-14(30)17-19(32)13(9-39-26(17)25(15)38-2)11-3-5-12(6-4-11)41-28-24(37)22(35)20(33)16(8-29)43-28/h3-7,9-10,16,18,20-24,27-31,33-37H,8H2,1-2H3 SVRABECZTWRKCD-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-4p-o-glycoside Isoflavonoid-7-o-glycoside Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.04 ALOGPS logs -2.68 ALOGPS solubility 1.27e+00 g/l ALOGPS logp -0.57 ChemAxon pka_strongest_acidic 9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-8-methoxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 608.5447 ChemAxon mono_mass 608.174120354 ChemAxon smiles COC1=C(OC2OC(C)C(O)C(O)C2O)C=C(O)C2=C1OC=C(C2=O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C28H32O15 ChemAxon inchi InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)42-15-7-14(30)17-19(32)13(9-39-26(17)25(15)38-2)11-3-5-12(6-4-11)41-28-24(37)22(35)20(33)16(8-29)43-28/h3-7,9-10,16,18,20-24,27-31,33-37H,8H2,1-2H3 ChemAxon inchikey SVRABECZTWRKCD-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 140.89 ChemAxon polarizability 59.92 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11888 Specdb::MsMs 11889 Specdb::MsMs 11890 Specdb::MsMs 18560 Specdb::MsMs 18561 Specdb::MsMs 18562 Specdb::MsMs 2662393 Specdb::MsMs 2662394 Specdb::MsMs 2662395 Specdb::MsMs 3015618 Specdb::MsMs 3015619 Specdb::MsMs 3015620 Specdb::CMs 46629 Specdb::CMs 494911 Specdb::CMs 494912 Specdb::CMs 494913 Specdb::CMs 494914 Specdb::CMs 494915 Specdb::CMs 494916 Specdb::CMs 494917 Specdb::CMs 494918 Specdb::CMs 494919 Specdb::CMs 494920 Specdb::CMs 494921 Specdb::CMs 494922 Specdb::CMs 494923 Specdb::CMs 494924 Specdb::CMs 494925 Specdb::CMs 494926 Specdb::CMs 494927 Specdb::CMs 494928 Specdb::CMs 494929 Specdb::CMs 494930 Specdb::CMs 494931 Specdb::CMs 494932 Specdb::CMs 494933 Specdb::CMs 494934 Specdb::NmrOneD 36862 Specdb::NmrOneD 36863 Specdb::NmrOneD 36864 Specdb::NmrOneD 36865 Specdb::NmrOneD 36866 Specdb::NmrOneD 36867 Specdb::NmrOneD 36868 Specdb::NmrOneD 36869 Specdb::NmrOneD 36870 Specdb::NmrOneD 36871 Specdb::NmrOneD 36872 Specdb::NmrOneD 36873 Specdb::NmrOneD 36874 Specdb::NmrOneD 36875 Specdb::NmrOneD 36876 Specdb::NmrOneD 36877 Specdb::NmrOneD 36878 Specdb::NmrOneD 36879 Specdb::NmrOneD 36880 Specdb::NmrOneD 36881 HMDB39909 #<Reference:0x000055ce321d35e8> Herbs and Spices Unknown generic