1.0 2010-04-08 22:04:38 UTC 2025-11-18 22:20:23 UTC FDB000615 Isovitexin 2''-glucoside Constituent of Oxalis acetosella (wood sorrel) and many other plants. Isovitexin 2''-glucoside is found in tea, muskmelon, and cucumber. Isovitexin 2''-O-glucoside Meloside A C27H30O15 594.5181 594.15847029 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 60767-80-8 OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 RQTTXGQDIROLTQ-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Cyclic alcohol Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol logp -0.67 ALOGPS logs -1.98 ALOGPS solubility 6.26e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(CO)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2 ChemAxon inchikey RQTTXGQDIROLTQ-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 138.45 ChemAxon polarizability 57.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23253 Specdb::CMs 41395 Specdb::CMs 282967 Specdb::CMs 430974 Specdb::CMs 430975 Specdb::CMs 430976 Specdb::CMs 430977 Specdb::CMs 430978 Specdb::CMs 430979 Specdb::CMs 430980 Specdb::CMs 430981 Specdb::CMs 430982 Specdb::CMs 430983 Specdb::CMs 430984 Specdb::CMs 430985 Specdb::CMs 430986 Specdb::CMs 430987 Specdb::CMs 430988 Specdb::CMs 430989 Specdb::CMs 430990 Specdb::CMs 430991 Specdb::CMs 430992 Specdb::CMs 430993 Specdb::CMs 430994 Specdb::CMs 430995 Specdb::NmrOneD 109698 Specdb::NmrOneD 109699 Specdb::NmrOneD 109700 Specdb::NmrOneD 109701 Specdb::NmrOneD 109702 Specdb::NmrOneD 109703 Specdb::NmrOneD 109704 Specdb::NmrOneD 109705 Specdb::NmrOneD 109706 Specdb::NmrOneD 109707 Specdb::NmrOneD 109708 Specdb::NmrOneD 109709 Specdb::NmrOneD 109710 Specdb::NmrOneD 109711 Specdb::NmrOneD 109712 Specdb::NmrOneD 109713 Specdb::NmrOneD 109714 Specdb::NmrOneD 109715 Specdb::NmrOneD 109716 Specdb::NmrOneD 109717 Specdb::MsMs 8930 Specdb::MsMs 8931 Specdb::MsMs 8932 Specdb::MsMs 11528 Specdb::MsMs 11529 Specdb::MsMs 11530 Specdb::MsMs 15602 Specdb::MsMs 15603 Specdb::MsMs 15604 Specdb::MsMs 18200 Specdb::MsMs 18201 Specdb::MsMs 18202 Specdb::MsMs 2307552 Specdb::MsMs 2307553 Specdb::MsMs 2307554 Specdb::MsMs 2654558 Specdb::MsMs 2654559 Specdb::MsMs 2654560 HMDB0029484 Black tea Type 1 Cucumber Type 1 specific Cucumis sativus 3659 Green tea Type 1 Herbal tea Type 1 Muskmelon Type 1 specific Cucumis melo 3656 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442