1.0 2010-04-08 22:14:54 UTC 2019-11-26 03:18:42 UTC FDB020265 Cnidimol 7-glucoside Constituent of Angelica archangelica (angelica). Cnidimol 7-glucoside is found in fats and oils, herbs and spices, and green vegetables. Cnidimol 7-glucoside C21H26O10 438.4251 438.152597052 5-hydroxy-6-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-6-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 121748-72-9 C\C(CO)=C/CC1=C(O)C2=C(OC(C)=CC2=O)C=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+ VAWXDOOFPWDVPC-YCRREMRBSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Acetals Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.08 ALOGPS logs -2.45 ALOGPS solubility 1.57e+00 g/l ALOGPS logp 0.094 ChemAxon pka_strongest_acidic 8.35 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5-hydroxy-6-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 438.4251 ChemAxon mono_mass 438.152597052 ChemAxon smiles C\C(CO)=C/CC1=C(O)C2=C(OC(C)=CC2=O)C=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C21H26O10 ChemAxon inchi InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+ ChemAxon inchikey VAWXDOOFPWDVPC-YCRREMRBSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 109.23 ChemAxon polarizability 44.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10855 Specdb::CMs 46800 Specdb::CMs 147752 Specdb::MsMs 289903 Specdb::MsMs 289904 Specdb::MsMs 289905 Specdb::MsMs 329464 Specdb::MsMs 329465 Specdb::MsMs 329466 Specdb::MsMs 2436031 Specdb::MsMs 2436032 Specdb::MsMs 2436033 Specdb::MsMs 2526156 Specdb::MsMs 2526157 Specdb::MsMs 2526158 Specdb::NmrOneD 40902 Specdb::NmrOneD 40903 Specdb::NmrOneD 40904 Specdb::NmrOneD 40905 Specdb::NmrOneD 40906 Specdb::NmrOneD 40907 Specdb::NmrOneD 40908 Specdb::NmrOneD 40909 Specdb::NmrOneD 40910 Specdb::NmrOneD 40911 Specdb::NmrOneD 40912 Specdb::NmrOneD 40913 Specdb::NmrOneD 40914 Specdb::NmrOneD 40915 Specdb::NmrOneD 40916 Specdb::NmrOneD 40917 Specdb::NmrOneD 40918 Specdb::NmrOneD 40919 Specdb::NmrOneD 40920 Specdb::NmrOneD 40921 HMDB40502 #<Reference:0x000055ce33175e60> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic