1.02010-04-08 22:04:38 UTC2019-11-26 02:55:05 UTCFDB000615Isovitexin 2''-glucosideConstituent of Oxalis acetosella (wood sorrel) and many other plants. Isovitexin 2''-glucoside is found in tea, muskmelon, and cucumber.Isovitexin 2''-O-glucosideMeloside AC27H30O15594.5181594.158470296-[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-one6-[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-one60767-80-8OCC1OC(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)C1OInChI=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,7-8H2RQTTXGQDIROLTQ-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 derivativesOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesAromatic heteropolycyclic compounds1-benzopyransAlkyl aryl ethersBenzenoidsCyclic alcohols and derivativesHeteroaromatic compoundsHydrocarbon derivativesLactonesOrganic oxidesOxacyclic compoundsPyranones and derivativesSecondary alcohols1-benzopyranAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzopyranCoumarinCyclic alcoholEtherHeteroaromatic compoundHydrocarbon derivativeLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePyranPyranoneSecondary alcohollogp-0.67logs-1.98solubility6.26e+00 g/llogp-1.8pka_strongest_acidic6.2pka_strongest_basic-3.6iupac6-[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-oneaverage_mass594.5181mono_mass594.15847029smilesOCC1OC(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)C1OformulaC27H30O15inchiInChI=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,7-8H2inchikeyRQTTXGQDIROLTQ-UHFFFAOYSA-Npolar_surface_area256.29refractivity138.45polarizability57.7rotatable_bond_count6acceptor_count15donor_count10physiological_charge-1formal_charge0Specdb::NmrOneD109698Specdb::NmrOneD109699Specdb::NmrOneD109700Specdb::NmrOneD109701Specdb::NmrOneD109702Specdb::NmrOneD109703Specdb::NmrOneD109704Specdb::NmrOneD109705Specdb::NmrOneD109706Specdb::NmrOneD109707Specdb::NmrOneD109708Specdb::NmrOneD109709Specdb::NmrOneD109710Specdb::NmrOneD109711Specdb::NmrOneD109712Specdb::NmrOneD109713Specdb::NmrOneD109714Specdb::NmrOneD109715Specdb::NmrOneD109716Specdb::NmrOneD109717Specdb::MsMs8930Specdb::MsMs8931Specdb::MsMs8932Specdb::MsMs11528Specdb::MsMs11529Specdb::MsMs11530Specdb::MsMs15602Specdb::MsMs15603Specdb::MsMs15604Specdb::MsMs18200Specdb::MsMs18201Specdb::MsMs18202Specdb::MsMs2307552Specdb::MsMs2307553Specdb::MsMs2307554Specdb::MsMs2654558Specdb::MsMs2654559Specdb::MsMs2654560Specdb::CMs23253Specdb::CMs41395Specdb::CMs282967Specdb::CMs430974Specdb::CMs430975Specdb::CMs430976Specdb::CMs430977Specdb::CMs430978Specdb::CMs430979Specdb::CMs430980Specdb::CMs430981Specdb::CMs430982Specdb::CMs430983Specdb::CMs430984Specdb::CMs430985Specdb::CMs430986Specdb::CMs430987Specdb::CMs430988Specdb::CMs430989Specdb::CMs430990Specdb::CMs430991Specdb::CMs430992Specdb::CMs430993Specdb::CMs430994Specdb::CMs430995Black teaType 1CucumberType 1specificCucumis sativus3659Green teaType 1Herbal teaType 1MuskmelonType 1specificCucumis melo3656Red teaType 1TeaType 1specificCamellia sinensis4442