1.0 2010-04-08 22:12:42 UTC 2025-11-19 01:50:42 UTC FDB016886 Isorhamnetin 3-rutinoside 4'-rhamnoside Isolated from Cucurbita pepo. Isorhamnetin 3-rutinoside 4'-rhamnoside is found in fruits. Isorhamnetin 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 4'-O-a-L-rhamnopyranoside Isorhamnetin 3-rutinoside 4'-rhamnoside Isorhamnetin 3-rutinoside-4'-rhamnoside C34H42O20 770.6853 770.226943784 5,7-dihydroxy-2-{3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 5,7-dihydroxy-2-{3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 81053-13-6 COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3 YJJATMIYFDTODI-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.21 ALOGPS logs -2.33 ALOGPS solubility 3.65e+00 g/l ALOGPS melting_point Mp 190.5-192° logp -1.9 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 5,7-dihydroxy-2-{3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 770.6853 ChemAxon mono_mass 770.226943784 ChemAxon smiles COC1=C(OC2OC(C)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C34H42O20 ChemAxon inchi InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3 ChemAxon inchikey YJJATMIYFDTODI-UHFFFAOYSA-N ChemAxon polar_surface_area 313.44 ChemAxon refractivity 175.23 ChemAxon polarizability 74.4 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44184 Specdb::MsMs 44185 Specdb::MsMs 44186 Specdb::MsMs 169761 Specdb::MsMs 169762 Specdb::MsMs 169763 Specdb::MsMs 2364664 Specdb::MsMs 2364665 Specdb::MsMs 2364666 Specdb::MsMs 2597605 Specdb::MsMs 2597606 Specdb::MsMs 2597607 Specdb::CMs 782949 Specdb::CMs 782950 Specdb::CMs 782951 Specdb::CMs 782952 Specdb::CMs 782953 Specdb::CMs 782954 Specdb::CMs 782955 Specdb::CMs 782956 Specdb::CMs 782957 Specdb::CMs 782958 Specdb::CMs 782959 Specdb::CMs 782960 Specdb::CMs 782961 Specdb::CMs 782962 Specdb::CMs 782963 Specdb::CMs 782964 Specdb::CMs 782965 Specdb::CMs 782966 Specdb::CMs 782967 Specdb::CMs 782968 Specdb::CMs 782969 Specdb::CMs 782970 Specdb::NmrOneD 22802 Specdb::NmrOneD 22803 Specdb::NmrOneD 22804 Specdb::NmrOneD 22805 Specdb::NmrOneD 22806 Specdb::NmrOneD 22807 Specdb::NmrOneD 22808 Specdb::NmrOneD 22809 Specdb::NmrOneD 22810 Specdb::NmrOneD 22811 Specdb::NmrOneD 22812 Specdb::NmrOneD 22813 Specdb::NmrOneD 22814 Specdb::NmrOneD 22815 Specdb::NmrOneD 22816 Specdb::NmrOneD 22817 Specdb::NmrOneD 22818 Specdb::NmrOneD 22819 Specdb::NmrOneD 22820 Specdb::NmrOneD 22821 HMDB37748 #<Reference:0x000055ce32678350> Fruits Unknown generic