1.0 2010-04-08 22:14:54 UTC 2025-11-19 02:29:06 UTC FDB020250 Isorhamnetin 3-O-[b-D-xylopyranosyl-(1->6)-b-D-glucopyranoside] Isolated from Cistus ladanifer (labdanum) bee pollen 2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide AmbsicL14/009 Isorhamnetin 3-xylosyl-(1->6)-glucoside C27H30O16 610.5175 610.153384912 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 142905-19-9 COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3 HIRWMGZVIYIRJM-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 3-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp -0.16 ALOGPS logs -2.32 ALOGPS solubility 2.93e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 610.5175 ChemAxon mono_mass 610.153384912 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C27H30O16 ChemAxon inchi InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3 ChemAxon inchikey HIRWMGZVIYIRJM-UHFFFAOYSA-N ChemAxon polar_surface_area 254.52 ChemAxon refractivity 140.21 ChemAxon polarizability 58.09 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 40822 Specdb::NmrOneD 40823 Specdb::NmrOneD 40824 Specdb::NmrOneD 40825 Specdb::NmrOneD 40826 Specdb::NmrOneD 40827 Specdb::NmrOneD 40828 Specdb::NmrOneD 40829 Specdb::NmrOneD 40830 Specdb::NmrOneD 40831 Specdb::NmrOneD 40832 Specdb::NmrOneD 40833 Specdb::NmrOneD 40834 Specdb::NmrOneD 40835 Specdb::NmrOneD 40836 Specdb::NmrOneD 40837 Specdb::NmrOneD 40838 Specdb::NmrOneD 40839 Specdb::NmrOneD 40840 Specdb::NmrOneD 40841 Specdb::MsMs 8768 Specdb::MsMs 8769 Specdb::MsMs 8770 Specdb::MsMs 15440 Specdb::MsMs 15441 Specdb::MsMs 15442 Specdb::MsMs 2473679 Specdb::MsMs 2473680 Specdb::MsMs 2473681 Specdb::MsMs 2489517 Specdb::MsMs 2489518 Specdb::MsMs 2489519 Specdb::CMs 14663 Specdb::CMs 46797 Specdb::CMs 507643 Specdb::CMs 507644 Specdb::CMs 507645 Specdb::CMs 507646 Specdb::CMs 507647 Specdb::CMs 507648 Specdb::CMs 507649 Specdb::CMs 507650 Specdb::CMs 507651 Specdb::CMs 507652 Specdb::CMs 507653 Specdb::CMs 507654 Specdb::CMs 507655 Specdb::CMs 507656 Specdb::CMs 507657 Specdb::CMs 507658 Specdb::CMs 507659 Specdb::CMs 507660 Specdb::CMs 507661 Specdb::CMs 507662 Specdb::CMs 507663 Specdb::CMs 507664 Specdb::CMs 507665 HMDB40490 #<Reference:0x000055ce325b2d08>