1.0 2010-04-08 22:12:24 UTC 2025-11-19 01:46:43 UTC FDB016388 Azaleatin 3-rutinoside Isolated from pecan nuts Carya pecan. Azaleatin 3-rutinoside is found in pecan nut and nuts. 3,3',4',7-Tetrahydroxy-5-methoxyflavone 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 3,3',4',7-Tetrahydroxy-5-methoxyflavone 3-O-rutinoside Azaleatin 3-rutinoside C28H32O16 624.5441 624.169034976 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 63764-79-4 COC1=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 ZQGOPIYRGSTAIY-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'-hydroxyflavonoids 4'-hydroxyflavonoids 5-O-methylated flavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Catechols Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Disaccharide Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol Vinylogous ester logp 0.14 ALOGPS logs -2.38 ALOGPS solubility 2.63e+00 g/l ALOGPS melting_point Mp 200-204° dec. logp -1.4 ChemAxon pka_strongest_acidic 6.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-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 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=CC(O)=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3 ChemAxon inchikey ZQGOPIYRGSTAIY-UHFFFAOYSA-N ChemAxon polar_surface_area 254.52 ChemAxon refractivity 144.63 ChemAxon polarizability 59.62 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140290 Specdb::NmrOneD 140291 Specdb::NmrOneD 140292 Specdb::NmrOneD 140293 Specdb::NmrOneD 140294 Specdb::NmrOneD 140295 Specdb::NmrOneD 140296 Specdb::NmrOneD 140297 Specdb::NmrOneD 140298 Specdb::NmrOneD 140299 Specdb::NmrOneD 140300 Specdb::NmrOneD 140301 Specdb::NmrOneD 140302 Specdb::NmrOneD 140303 Specdb::NmrOneD 140304 Specdb::NmrOneD 140305 Specdb::NmrOneD 140306 Specdb::NmrOneD 140307 Specdb::NmrOneD 140308 Specdb::NmrOneD 140309 Specdb::MsMs 101958 Specdb::MsMs 101959 Specdb::MsMs 101960 Specdb::MsMs 167667 Specdb::MsMs 167668 Specdb::MsMs 167669 Specdb::MsMs 2688680 Specdb::MsMs 2688681 Specdb::MsMs 2688682 Specdb::MsMs 2993312 Specdb::MsMs 2993313 Specdb::MsMs 2993314 Specdb::CMs 10199 Specdb::CMs 45343 Specdb::CMs 556827 Specdb::CMs 556828 Specdb::CMs 556829 Specdb::CMs 556830 Specdb::CMs 556831 Specdb::CMs 556832 Specdb::CMs 556833 Specdb::CMs 556834 Specdb::CMs 556835 Specdb::CMs 556836 Specdb::CMs 556837 Specdb::CMs 556838 Specdb::CMs 556839 Specdb::CMs 556840 Specdb::CMs 556841 Specdb::CMs 556842 Specdb::CMs 556843 Specdb::CMs 556844 Specdb::CMs 556845 Specdb::CMs 556846 Specdb::CMs 556847 Specdb::CMs 556848 Specdb::CMs 556849 HMDB37361 #<Reference:0x000055ce31d8d380> Nuts Unknown generic Pecan nut Type 1 specific Carya illinoinensis 32201