1.0 2010-04-08 22:12:28 UTC 2025-11-19 01:47:22 UTC FDB016481 2''-Apiosylastragalin Possibly isolated from the leaves of Cicer arietinum (chickpea). 2''-Apiosylastragalin is found in chickpea and pulses. 2''-(Apiofuranosyl)astragalin 2''-(Apiosyl)astragalin 2''-(O-b-D-Apiofuranosyl)astragalin Astragalin 2''-O-b-D-apiofuranoside Kaempferol 3-apiosyl-(1->2)-glucoside C26H28O15 580.4915 580.142820226 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 99816-59-8 OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=1S/C26H28O15/c27-7-15-17(32)19(34)22(41-25-23(35)26(36,8-28)9-37-25)24(39-15)40-21-18(33)16-13(31)5-12(30)6-14(16)38-20(21)10-1-3-11(29)4-2-10/h1-6,15,17,19,22-25,27-32,34-36H,7-9H2 MNBRHJWOHPGQIW-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid Flavones and Flavonols logp -0.19 ALOGPS logs -2.38 ALOGPS solubility 2.40e+00 g/l ALOGPS melting_point Mp 165-170° logp -1.1 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 580.4915 ChemAxon mono_mass 580.142820226 ChemAxon smiles OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O ChemAxon formula C26H28O15 ChemAxon inchi InChI=1S/C26H28O15/c27-7-15-17(32)19(34)22(41-25-23(35)26(36,8-28)9-37-25)24(39-15)40-21-18(33)16-13(31)5-12(30)6-14(16)38-20(21)10-1-3-11(29)4-2-10/h1-6,15,17,19,22-25,27-32,34-36H,7-9H2 ChemAxon inchikey MNBRHJWOHPGQIW-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 133.96 ChemAxon polarizability 55.34 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 140830 Specdb::NmrOneD 140831 Specdb::NmrOneD 140832 Specdb::NmrOneD 140833 Specdb::NmrOneD 140834 Specdb::NmrOneD 140835 Specdb::NmrOneD 140836 Specdb::NmrOneD 140837 Specdb::NmrOneD 140838 Specdb::NmrOneD 140839 Specdb::NmrOneD 140840 Specdb::NmrOneD 140841 Specdb::NmrOneD 140842 Specdb::NmrOneD 140843 Specdb::NmrOneD 140844 Specdb::NmrOneD 140845 Specdb::NmrOneD 140846 Specdb::NmrOneD 140847 Specdb::NmrOneD 140848 Specdb::NmrOneD 140849 Specdb::MsMs 6959 Specdb::MsMs 6960 Specdb::MsMs 6961 Specdb::MsMs 9863 Specdb::MsMs 9864 Specdb::MsMs 9865 Specdb::MsMs 13631 Specdb::MsMs 13632 Specdb::MsMs 13633 Specdb::MsMs 16535 Specdb::MsMs 16536 Specdb::MsMs 16537 Specdb::MsMs 2265771 Specdb::MsMs 2265772 Specdb::MsMs 2265773 Specdb::MsMs 3076662 Specdb::MsMs 3076663 Specdb::MsMs 3076664 Specdb::CMs 14701 Specdb::CMs 45383 Specdb::CMs 282539 Specdb::CMs 393870 Specdb::CMs 393871 Specdb::CMs 393872 Specdb::CMs 393873 Specdb::CMs 393874 Specdb::CMs 393875 Specdb::CMs 393876 Specdb::CMs 393877 Specdb::CMs 393878 Specdb::CMs 393879 Specdb::CMs 393880 Specdb::CMs 393881 Specdb::CMs 393882 Specdb::CMs 393883 Specdb::CMs 393884 Specdb::CMs 393885 Specdb::CMs 393886 Specdb::CMs 393887 Specdb::CMs 393888 Specdb::CMs 393889 Specdb::CMs 393890 Specdb::CMs 393891 HMDB0037430 Chickpea Type 1 specific Cicer arietinum 3827 Pulses Unknown generic