1.0 2010-04-08 22:14:10 UTC 2019-11-26 03:17:10 UTC FDB019158 Typhaneoside Isolated from Calendula officinalis (pot marigold). Typhaneoside is found in narrowleaf cattail and ginkgo nuts. Aervitrin Typhaneoside C34H42O20 770.6853 770.226943784 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 104472-68-6 COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3 POMAQDQEVHXLGT-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes 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 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.02 ALOGPS logs -2.07 ALOGPS solubility 6.52e+00 g/l ALOGPS melting_point Mp 148-150° logp -1.4 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 770.6853 ChemAxon mono_mass 770.226943784 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(C)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(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3 ChemAxon inchikey POMAQDQEVHXLGT-UHFFFAOYSA-N ChemAxon polar_surface_area 313.44 ChemAxon refractivity 175.5 ChemAxon polarizability 74.21 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 782971 Specdb::CMs 782972 Specdb::CMs 782973 Specdb::CMs 782974 Specdb::CMs 782975 Specdb::CMs 782976 Specdb::CMs 782977 Specdb::CMs 782978 Specdb::CMs 782979 Specdb::CMs 782980 Specdb::CMs 782981 Specdb::CMs 782982 Specdb::CMs 782983 Specdb::CMs 782984 Specdb::CMs 782985 Specdb::CMs 782986 Specdb::CMs 782987 Specdb::CMs 782988 Specdb::CMs 782989 Specdb::CMs 782990 Specdb::CMs 782991 Specdb::CMs 782992 Specdb::MsMs 10442 Specdb::MsMs 10443 Specdb::MsMs 10444 Specdb::MsMs 12263 Specdb::MsMs 12264 Specdb::MsMs 12265 Specdb::MsMs 17114 Specdb::MsMs 17115 Specdb::MsMs 17116 Specdb::MsMs 18935 Specdb::MsMs 18936 Specdb::MsMs 18937 Specdb::MsMs 2312864 Specdb::MsMs 2312865 Specdb::MsMs 2312866 Specdb::MsMs 2653169 Specdb::MsMs 2653170 Specdb::MsMs 2653171 Specdb::NmrOneD 33702 Specdb::NmrOneD 33703 Specdb::NmrOneD 33704 Specdb::NmrOneD 33705 Specdb::NmrOneD 33706 Specdb::NmrOneD 33707 Specdb::NmrOneD 33708 Specdb::NmrOneD 33709 Specdb::NmrOneD 33710 Specdb::NmrOneD 33711 Specdb::NmrOneD 33712 Specdb::NmrOneD 33713 Specdb::NmrOneD 33714 Specdb::NmrOneD 33715 Specdb::NmrOneD 33716 Specdb::NmrOneD 33717 Specdb::NmrOneD 33718 Specdb::NmrOneD 33719 Specdb::NmrOneD 33720 Specdb::NmrOneD 33721 HMDB39541 #<Reference:0x000055ce315c87a8> Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Narrowleaf cattail Type 1 specific Typha angustifolia 59011