1.0 2010-04-08 22:12:29 UTC 2019-11-26 03:13:24 UTC FDB016532 Rhamnazin 3-rutinoside Isolated from Cucurbita pepo. Rhamnazin 3-rutinoside is found in fruits. Ombuoside Polygalacin Rhamnazin 3-rutinoside C29H34O16 638.5707 638.18468504 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-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 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 64527-08-8 COC1=CC(O)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC)=C1 InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3 JUIYKRQGQJORHH-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-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds 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-methoxyflavonoid-skeleton 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 Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.23 ALOGPS logs -2.56 ALOGPS solubility 1.75e+00 g/l ALOGPS melting_point Mp 157-158° logp -0.58 ChemAxon pka_strongest_acidic 8.27 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-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 638.5707 ChemAxon mono_mass 638.18468504 ChemAxon smiles COC1=CC(O)=C2C(=O)C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(OC2=C1)C1=CC=C(O)C(OC)=C1 ChemAxon formula C29H34O16 ChemAxon inchi InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-13(30)15(6-11)40-3/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3 ChemAxon inchikey JUIYKRQGQJORHH-UHFFFAOYSA-N ChemAxon polar_surface_area 243.52 ChemAxon refractivity 149.11 ChemAxon polarizability 61.95 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12032 Specdb::MsMs 12033 Specdb::MsMs 12034 Specdb::MsMs 18704 Specdb::MsMs 18705 Specdb::MsMs 18706 Specdb::MsMs 2423308 Specdb::MsMs 2423309 Specdb::MsMs 2423310 Specdb::MsMs 2515129 Specdb::MsMs 2515130 Specdb::MsMs 2515131 Specdb::CMs 18778 Specdb::CMs 600556 Specdb::CMs 600557 Specdb::CMs 600558 Specdb::CMs 600559 Specdb::CMs 600560 Specdb::CMs 600561 Specdb::CMs 600562 Specdb::CMs 600563 Specdb::CMs 600564 Specdb::CMs 600565 Specdb::CMs 600566 Specdb::CMs 600567 Specdb::CMs 600568 Specdb::CMs 600569 Specdb::CMs 600570 Specdb::CMs 600571 Specdb::CMs 600572 Specdb::CMs 600573 Specdb::CMs 600574 Specdb::CMs 600575 Specdb::CMs 600576 Specdb::CMs 600577 Specdb::CMs 600578 Specdb::CMs 600579 Specdb::NmrOneD 141170 Specdb::NmrOneD 141171 Specdb::NmrOneD 141172 Specdb::NmrOneD 141173 Specdb::NmrOneD 141174 Specdb::NmrOneD 141175 Specdb::NmrOneD 141176 Specdb::NmrOneD 141177 Specdb::NmrOneD 141178 Specdb::NmrOneD 141179 Specdb::NmrOneD 141180 Specdb::NmrOneD 141181 Specdb::NmrOneD 141182 Specdb::NmrOneD 141183 Specdb::NmrOneD 141184 Specdb::NmrOneD 141185 Specdb::NmrOneD 141186 Specdb::NmrOneD 141187 Specdb::NmrOneD 141188 Specdb::NmrOneD 141189 HMDB37467 #<Reference:0x000055ce32851f00> Fruits Unknown generic