1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:17 UTC FDB021360 Aeglin Constituent of Aegle marmelos (bael fruit). Aeglin is found in fruits. Aeglin C25H34O11 510.5309 510.21011193 7-{[(2E)-4,7-dihydroxy-3,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-en-1-yl]oxy}-2H-chromen-2-one 7-{[(2E)-4,7-dihydroxy-3,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-en-1-yl]oxy}chromen-2-one 169626-23-7 C\C(=C/COC1=CC=C2C=CC(=O)OC2=C1)C(O)CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O InChI=1S/C25H34O11/c1-13(8-9-33-15-6-4-14-5-7-20(28)34-17(14)10-15)16(27)11-19(25(2,3)32)36-24-23(31)22(30)21(29)18(12-26)35-24/h4-8,10,16,18-19,21-24,26-27,29-32H,9,11-12H2,1-3H3/b13-8+ HLXHWKRKFDBAEQ-MDWZMJQESA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Alkyl glycosides Benzenoids Coumarins and derivatives Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol logp -0.03 ALOGPS logs -2.95 ALOGPS solubility 5.77e-01 g/l ALOGPS melting_point Mp 218-219° logp -0.57 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[(2E)-4,7-dihydroxy-3,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-en-1-yl]oxy}-2H-chromen-2-one ChemAxon average_mass 510.5309 ChemAxon mono_mass 510.21011193 ChemAxon smiles C\C(=C/COC1=CC=C2C=CC(=O)OC2=C1)C(O)CC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)O ChemAxon formula C25H34O11 ChemAxon inchi InChI=1S/C25H34O11/c1-13(8-9-33-15-6-4-14-5-7-20(28)34-17(14)10-15)16(27)11-19(25(2,3)32)36-24-23(31)22(30)21(29)18(12-26)35-24/h4-8,10,16,18-19,21-24,26-27,29-32H,9,11-12H2,1-3H3/b13-8+ ChemAxon inchikey HLXHWKRKFDBAEQ-MDWZMJQESA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 127.17 ChemAxon polarizability 52.18 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 289723 Specdb::MsMs 289724 Specdb::MsMs 289725 Specdb::MsMs 329233 Specdb::MsMs 329234 Specdb::MsMs 329235 Specdb::MsMs 2445655 Specdb::MsMs 2445656 Specdb::MsMs 2445657 Specdb::MsMs 2517087 Specdb::MsMs 2517088 Specdb::MsMs 2517089 Specdb::CMs 10776 Specdb::CMs 47306 Specdb::NmrOneD 46662 Specdb::NmrOneD 46663 Specdb::NmrOneD 46664 Specdb::NmrOneD 46665 Specdb::NmrOneD 46666 Specdb::NmrOneD 46667 Specdb::NmrOneD 46668 Specdb::NmrOneD 46669 Specdb::NmrOneD 46670 Specdb::NmrOneD 46671 Specdb::NmrOneD 46672 Specdb::NmrOneD 46673 Specdb::NmrOneD 46674 Specdb::NmrOneD 46675 Specdb::NmrOneD 46676 Specdb::NmrOneD 46677 Specdb::NmrOneD 46678 Specdb::NmrOneD 46679 Specdb::NmrOneD 46680 Specdb::NmrOneD 46681 HMDB41415 #<Reference:0x000055ce3159e0c0> Fruits Unknown generic