1.0 2010-04-08 22:12:29 UTC 2025-11-19 01:47:42 UTC FDB016526 Tricin 7-neohesperidoside Isolated from sugar cane leaves (Saccharum officinarum) Tricin 7-neohesperidoside C29H34O16 638.5707 638.18468504 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one 53766-40-8 COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3 AIBMPOJXBGZIPQ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 Acetals Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols 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 Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Disaccharide Ether Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.18 ALOGPS logs -2.54 ALOGPS solubility 1.86e+00 g/l ALOGPS logp -0.6 ChemAxon pka_strongest_acidic 8.27 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 638.5707 ChemAxon mono_mass 638.18468504 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 ChemAxon formula C29H34O16 ChemAxon inchi InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3 ChemAxon inchikey AIBMPOJXBGZIPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 243.52 ChemAxon refractivity 148.85 ChemAxon polarizability 62.99 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 141150 Specdb::NmrOneD 141151 Specdb::NmrOneD 141152 Specdb::NmrOneD 141153 Specdb::NmrOneD 141154 Specdb::NmrOneD 141155 Specdb::NmrOneD 141156 Specdb::NmrOneD 141157 Specdb::NmrOneD 141158 Specdb::NmrOneD 141159 Specdb::NmrOneD 141160 Specdb::NmrOneD 141161 Specdb::NmrOneD 141162 Specdb::NmrOneD 141163 Specdb::NmrOneD 141164 Specdb::NmrOneD 141165 Specdb::NmrOneD 141166 Specdb::NmrOneD 141167 Specdb::NmrOneD 141168 Specdb::NmrOneD 141169 Specdb::CMs 10928 Specdb::CMs 600428 Specdb::CMs 600429 Specdb::CMs 600430 Specdb::CMs 600431 Specdb::CMs 600432 Specdb::CMs 600433 Specdb::CMs 600434 Specdb::CMs 600435 Specdb::CMs 600436 Specdb::CMs 600437 Specdb::CMs 600438 Specdb::CMs 600439 Specdb::CMs 600440 Specdb::CMs 600441 Specdb::CMs 600442 Specdb::CMs 600443 Specdb::CMs 600444 Specdb::CMs 600445 Specdb::CMs 600446 Specdb::CMs 600447 Specdb::CMs 600448 Specdb::CMs 600449 Specdb::CMs 600450 Specdb::CMs 600451 Specdb::MsMs 58401 Specdb::MsMs 58402 Specdb::MsMs 58403 Specdb::MsMs 114330 Specdb::MsMs 114331 Specdb::MsMs 114332 Specdb::MsMs 2228851 Specdb::MsMs 2230574 Specdb::MsMs 2277521 Specdb::MsMs 2277522 Specdb::MsMs 2277523 Specdb::MsMs 3088381 Specdb::MsMs 3088382 Specdb::MsMs 3088383 HMDB37462 #<Reference:0x000055ce31608470>