1.0 2010-04-08 22:13:39 UTC 2019-11-26 03:16:03 UTC FDB018347 Castamollissin Isolated from the leaves of Castanea mollissima (Chinese chestnut). Castamollissin is found in nuts. Castamollissin C20H20O13 468.365 468.090390726 [6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 115355-99-2 OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C=O)=CC(O)=C2O)C(O)C1O InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2 SVCSAQHJACEOFN-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Catechols Galloyl esters Hydrocarbon derivatives Hydroxybenzaldehydes Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aldehyde Aromatic heteromonocyclic compound Aryl-aldehyde Benzaldehyde Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechol Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxybenzaldehyde M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyrogallol derivative Secondary alcohol logp 0.47 ALOGPS logs -2.34 ALOGPS solubility 2.12e+00 g/l ALOGPS melting_point Mp 209-211° logp 0.092 ChemAxon pka_strongest_acidic 7.7 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 468.365 ChemAxon mono_mass 468.090390726 ChemAxon smiles OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(C=O)=CC(O)=C2O)C(O)C1O ChemAxon formula C20H20O13 ChemAxon inchi InChI=1S/C20H20O13/c21-5-7-1-9(22)15(26)12(2-7)32-20-18(29)17(28)16(27)13(33-20)6-31-19(30)8-3-10(23)14(25)11(24)4-8/h1-5,13,16-18,20,22-29H,6H2 ChemAxon inchikey SVCSAQHJACEOFN-UHFFFAOYSA-N ChemAxon polar_surface_area 223.67 ChemAxon refractivity 106.49 ChemAxon polarizability 42.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22991 Specdb::CMs 46130 Specdb::CMs 146300 Specdb::MsMs 59553 Specdb::MsMs 59554 Specdb::MsMs 59555 Specdb::MsMs 115713 Specdb::MsMs 115714 Specdb::MsMs 115715 Specdb::MsMs 2461732 Specdb::MsMs 2461733 Specdb::MsMs 2461734 Specdb::MsMs 2477807 Specdb::MsMs 2477808 Specdb::MsMs 2477809 HMDB38888 #<Reference:0x000055ce316db758> Nuts Unknown generic