1.0 2016-09-30 23:18:51 UTC 2020-04-22 15:16:25 UTC BMDB0005811 BMDB05811 Eriocitrin Eriodictioside Eriodictyol 7-O-rutinoside C27H32O15 596.534 596.174120354 (3S)-3-(3,4-dihydroxyphenyl)-8-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalen-1-one eriodictyol 7-O-rutinoside 13463-28-0 [H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1 InChI=1S/C27H32O15/c28-13-2-1-9(5-14(13)29)10-3-11-4-12(7-16(31)18(11)15(30)6-10)40-27-24(37)20(33)19(32)17(41-27)8-39-26-23(36)21(34)22(35)25(38)42-26/h1-2,4-5,7,10,17,19-29,31-38H,3,6,8H2/t10-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1 AZXIAVOSESIQNG-SCXABSQUSA-N belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. Organic compounds Benzenoids Naphthalenes Phenylnaphthalenes Phenylnaphthalenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aryl alkyl ketones Benzene and substituted derivatives Catechols Disaccharides Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Secondary alcohols Tetralins Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Catechol Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Phenylnaphthalene Polyol Secondary alcohol Tetralin Vinylogous acid Aromatic heteropolycyclic compounds Solid logp -0.62 ALOGPS logs -2.16 ALOGPS logp -0.64 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (3S)-3-(3,4-dihydroxyphenyl)-8-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalen-1-one ChemAxon average_mass 596.534 ChemAxon mono_mass 596.174120354 ChemAxon smiles [H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1 ChemAxon formula C27H32O15 ChemAxon inchi InChI=1S/C27H32O15/c28-13-2-1-9(5-14(13)29)10-3-11-4-12(7-16(31)18(11)15(30)6-10)40-27-24(37)20(33)19(32)17(41-27)8-39-26-23(36)21(34)22(35)25(38)42-26/h1-2,4-5,7,10,17,19-29,31-38H,3,6,8H2/t10-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1 ChemAxon inchikey AZXIAVOSESIQNG-SCXABSQUSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 136.52 ChemAxon polarizability 56.24 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 61132 Specdb::NmrOneD 61133 Specdb::NmrOneD 61134 Specdb::NmrOneD 61135 Specdb::NmrOneD 61136 Specdb::NmrOneD 61137 Specdb::NmrOneD 61138 Specdb::NmrOneD 61139 Specdb::NmrOneD 61140 Specdb::NmrOneD 61141 Specdb::NmrOneD 61142 Specdb::NmrOneD 61143 Specdb::NmrOneD 61144 Specdb::NmrOneD 61145 Specdb::NmrOneD 61146 Specdb::NmrOneD 61147 Specdb::NmrOneD 61148 Specdb::NmrOneD 61149 Specdb::NmrOneD 61150 Specdb::NmrOneD 61151 Specdb::MsMs 291004 Specdb::MsMs 291005 Specdb::MsMs 291006 Specdb::MsMs 330811 Specdb::MsMs 330812 Specdb::MsMs 330813 Specdb::MsMs 2742610 Specdb::MsMs 2742611 Specdb::MsMs 2742612 Specdb::MsMs 2940080 Specdb::MsMs 2940081 Specdb::MsMs 2940082 Specdb::CMs 11323 Specdb::CMs 38902 Specdb::CMs 283064 Specdb::CMs 453102 Specdb::CMs 453103 Specdb::CMs 453104 Specdb::CMs 453105 Specdb::CMs 453106 Specdb::CMs 453107 Specdb::CMs 453108 Specdb::CMs 453109 Specdb::CMs 453110 Specdb::CMs 453111 Specdb::CMs 453112 Specdb::CMs 453113 Specdb::CMs 453114 Specdb::CMs 453115 Specdb::CMs 453116 Specdb::CMs 453117 Specdb::CMs 453118 Specdb::CMs 453119 Specdb::CMs 453120 Specdb::CMs 453121 Specdb::CMs 453122 Specdb::CMs 453123 FDB016547 17216350 C00008295 22833655 C09732 Eriocitrin