1.0 2010-04-08 22:11:53 UTC 2019-11-26 03:11:45 UTC FDB015524 Pteroside P Constituent of Pteridium aquilinum (bracken fern). Pteroside P is found in green vegetables and root vegetables. Pteroside P C20H28O8 396.4315 396.178417872 5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-one 5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one 54854-88-5 CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(CO)=C2 InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3 MTMPFCKKJBWSKK-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Acetals Aromatic alcohols Aryl alkyl ketones Hexoses Hydrocarbon derivatives Indanones Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic alcohol Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Hexose monosaccharide Hydrocarbon derivative Indane Indanone Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.33 ALOGPS logs -2.39 ALOGPS solubility 1.63e+00 g/l ALOGPS melting_point Mp 191-193° logp -0.12 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 396.4315 ChemAxon mono_mass 396.178417872 ChemAxon smiles CC1CC2=C(C1=O)C(C)=C(CCOC1OC(CO)C(O)C(O)C1O)C(CO)=C2 ChemAxon formula C20H28O8 ChemAxon inchi InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3 ChemAxon inchikey MTMPFCKKJBWSKK-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 100.14 ChemAxon polarizability 41.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14156 Specdb::CMs 44929 Specdb::CMs 157570 Specdb::MsMs 98841 Specdb::MsMs 98842 Specdb::MsMs 98843 Specdb::MsMs 163851 Specdb::MsMs 163852 Specdb::MsMs 163853 Specdb::MsMs 2412145 Specdb::MsMs 2412146 Specdb::MsMs 2412147 Specdb::MsMs 2549589 Specdb::MsMs 2549590 Specdb::MsMs 2549591 Specdb::NmrOneD 136670 Specdb::NmrOneD 136671 Specdb::NmrOneD 136672 Specdb::NmrOneD 136673 Specdb::NmrOneD 136674 Specdb::NmrOneD 136675 Specdb::NmrOneD 136676 Specdb::NmrOneD 136677 Specdb::NmrOneD 136678 Specdb::NmrOneD 136679 Specdb::NmrOneD 136680 Specdb::NmrOneD 136681 Specdb::NmrOneD 136682 Specdb::NmrOneD 136683 Specdb::NmrOneD 136684 Specdb::NmrOneD 136685 Specdb::NmrOneD 136686 Specdb::NmrOneD 136687 Specdb::NmrOneD 136688 Specdb::NmrOneD 136689 HMDB36608 #<Reference:0x000055ce320fb918> Green vegetables Unknown generic Root vegetables Unknown generic