1.0 2019-09-16 21:23:46 UTC 2019-11-26 03:24:13 UTC FDB093569 Derriscannoside A C28H32O13 576.551 576.18429109 3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one 3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2C1=O InChI=1S/C28H32O13/c1-12-20(29)23(32)25(34)27(39-12)38-11-19-22(31)24(33)26(35)28(41-19)40-15-7-8-16-18(9-15)37-10-17(21(16)30)13-3-5-14(36-2)6-4-13/h3-10,12,19-20,22-29,31-35H,11H2,1-2H3/t12-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1 ZSCRYAYQFLBRDF-ZUTPBCDKSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 4'-O-methylisoflavones Acetals Alkyl aryl ethers Anisoles Chromones Disaccharides Heteroaromatic compounds Hydrocarbon derivatives Isoflavones Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran 4p-o-methylisoflavone Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol disaccharide derivative methoxyisoflavone rutinoside logp 0.50 ALOGPS logs -2.81 ALOGPS solubility 8.83e-01 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 576.551 ChemAxon mono_mass 576.18429109 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2C1=O ChemAxon formula C28H32O13 ChemAxon inchi InChI=1S/C28H32O13/c1-12-20(29)23(32)25(34)27(39-12)38-11-19-22(31)24(33)26(35)28(41-19)40-15-7-8-16-18(9-15)37-10-17(21(16)30)13-3-5-14(36-2)6-4-13/h3-10,12,19-20,22-29,31-35H,11H2,1-2H3/t12-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1 ChemAxon inchikey ZSCRYAYQFLBRDF-ZUTPBCDKSA-N ChemAxon polar_surface_area 193.83 ChemAxon refractivity 137.2 ChemAxon polarizability 57.43 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1227190 Specdb::MsMs 1227191 Specdb::MsMs 1227192 Specdb::MsMs 1342789 Specdb::MsMs 1342790 Specdb::MsMs 1342791 Specdb::MsMs 3609451 Specdb::MsMs 3609452 Specdb::MsMs 3609453 Specdb::MsMs 3609454 Specdb::MsMs 3609455 Specdb::MsMs 3609456 Mundu Type 1 Garcinia dulcis