1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:33 UTC FDB014132 Licoagroside A Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroside A is found in tea and herbs and spices. 7,2',5'-Trihydroxy-6,4'-dimethoxyisoflavone 2'-O-glucoside Licoagroside A C23H24O12 492.4295 492.126776232 7-hydroxy-3-(5-hydroxy-4-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxy-4H-chromen-4-one 7-hydroxy-3-(5-hydroxy-4-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxychromen-4-one 298-02-2 COC1=C(O)C=C(C(OC2OC(CO)C(O)C(O)C2O)=C1)C1=COC2=CC(O)=C(OC)C=C2C1=O InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3 RQLOWOYMKFVTBB-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Acetals Carboximidic acids Cinnamic acids Coumaric acids Disaccharides Hydrocarbon derivatives Hydroxycinnamic acids Monocarboxylic acids and derivatives O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes P-quinomethanes Polyols Primary alcohols Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboximidic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid Coumaric acid or derivatives Cyclic ketone Disaccharide Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxide Organoheterocyclic compound Oxacycle Oxane P-quinomethane Phenol Phenolic glycoside Polyol Primary alcohol Quinomethane Secondary alcohol Styrene logp 0.61 ALOGPS logs -2.87 ALOGPS solubility 6.64e-01 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 6.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-hydroxy-3-(5-hydroxy-4-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxy-4H-chromen-4-one ChemAxon average_mass 492.4295 ChemAxon mono_mass 492.126776232 ChemAxon smiles COC1=C(O)C=C(C(OC2OC(CO)C(O)C(O)C2O)=C1)C1=COC2=CC(O)=C(OC)C=C2C1=O ChemAxon formula C23H24O12 ChemAxon inchi InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3 ChemAxon inchikey RQLOWOYMKFVTBB-UHFFFAOYSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 116.75 ChemAxon polarizability 47.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16906 Specdb::CMs 44395 Specdb::CMs 146226 Specdb::CMs 164670 Specdb::CMs 164672 Specdb::CMs 164674 Specdb::CMs 164676 Specdb::CMs 164678 Specdb::CMs 280491 Specdb::NmrOneD 131538 Specdb::NmrOneD 131539 Specdb::NmrOneD 131540 Specdb::NmrOneD 131541 Specdb::NmrOneD 131542 Specdb::NmrOneD 131543 Specdb::NmrOneD 131544 Specdb::NmrOneD 131545 Specdb::NmrOneD 131546 Specdb::NmrOneD 131547 Specdb::NmrOneD 131548 Specdb::NmrOneD 131549 Specdb::NmrOneD 131550 Specdb::NmrOneD 131551 Specdb::NmrOneD 131552 Specdb::NmrOneD 131553 Specdb::NmrOneD 131554 Specdb::NmrOneD 131555 Specdb::NmrOneD 131556 Specdb::NmrOneD 131557 Specdb::MsMs 60906 Specdb::MsMs 60907 Specdb::MsMs 60908 Specdb::MsMs 117345 Specdb::MsMs 117346 Specdb::MsMs 117347 Specdb::MsMs 2308767 Specdb::MsMs 2308768 Specdb::MsMs 2308769 Specdb::MsMs 2654273 Specdb::MsMs 2654274 Specdb::MsMs 2654275 HMDB35448 #<Reference:0x000055ce327ba9e8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442