1.0 2010-04-08 22:14:57 UTC 2019-11-26 03:18:46 UTC FDB020335 Aromadendrin 3,7-diglucoside Constituent of broad bean (Vicia faba) leaves. Aromadendrin 3,7-diglucoside is found in pulses. C27H32O16 612.5334 612.169034976 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,3-dihydro-1-benzopyran-4-one 80212-10-8 OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2 LYZCSBKUDSHVOD-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 Acetals Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanonols Flavonoid-3-O-glycosides Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Flavanonol Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -1.06 ALOGPS logs -1.82 ALOGPS solubility 9.18e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 9.27 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 612.5334 ChemAxon mono_mass 612.169034976 ChemAxon smiles OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H32O16 ChemAxon inchi InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2 ChemAxon inchikey LYZCSBKUDSHVOD-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 137.19 ChemAxon polarizability 58.16 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 289024 Specdb::MsMs 289025 Specdb::MsMs 289026 Specdb::MsMs 328324 Specdb::MsMs 328325 Specdb::MsMs 328326 Specdb::MsMs 2816833 Specdb::MsMs 2816834 Specdb::MsMs 2816835 Specdb::MsMs 2888152 Specdb::MsMs 2888153 Specdb::MsMs 2888154 Specdb::NmrOneD 41922 Specdb::NmrOneD 41923 Specdb::NmrOneD 41924 Specdb::NmrOneD 41925 Specdb::NmrOneD 41926 Specdb::NmrOneD 41927 Specdb::NmrOneD 41928 Specdb::NmrOneD 41929 Specdb::NmrOneD 41930 Specdb::NmrOneD 41931 Specdb::NmrOneD 41932 Specdb::NmrOneD 41933 Specdb::NmrOneD 41934 Specdb::NmrOneD 41935 Specdb::NmrOneD 41936 Specdb::NmrOneD 41937 Specdb::NmrOneD 41938 Specdb::NmrOneD 41939 Specdb::NmrOneD 41940 Specdb::NmrOneD 41941 Specdb::CMs 10438 Specdb::CMs 46832 Specdb::CMs 524036 Specdb::CMs 524037 Specdb::CMs 524038 Specdb::CMs 524039 Specdb::CMs 524040 Specdb::CMs 524041 Specdb::CMs 524042 Specdb::CMs 524043 Specdb::CMs 524044 Specdb::CMs 524045 Specdb::CMs 524046 Specdb::CMs 524047 Specdb::CMs 524048 Specdb::CMs 524049 Specdb::CMs 524050 Specdb::CMs 524051 Specdb::CMs 524052 Specdb::CMs 524053 Specdb::CMs 524054 Specdb::CMs 524055 Specdb::CMs 524056 Specdb::CMs 524057 Specdb::CMs 524058 HMDB40559 #<Reference:0x000055ce326aa3a0> Pulses Unknown generic