1.0 2010-04-08 22:10:51 UTC 2019-11-26 03:08:52 UTC FDB013683 Hovenoside G Constituent of leaves of Hovenia dulcis (raisin tree). Hovenoside G is found in fruits. (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol Gadolinium-dtpa gadolinium(+3) cation Gadopentetate dimeglumine Gadopentetate dimeglumine (jan/usp) Gadopentetate dimeglumine [usan] GD-dtpa Hovenoside G Magnevist Magnevist (TN) Meglumine gadopentetate C51H82O21 1031.1842 1030.534859686 2-({4,5-dihydroxy-2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)oxane-3,4,5-triol 2-({4,5-dihydroxy-2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)oxane-3,4,5-triol 55466-01-8 CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1 InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3 QVKNFOCNXKZPMO-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 Hydrocarbon derivatives Ketals Naphthalenes Naphthopyrans O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative Ketal Naphthalene Naphthopyran O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpenoid logp 0.11 ALOGPS logs -3.08 ALOGPS solubility 8.61e-01 g/l ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 11.88 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-({4,5-dihydroxy-2-[(5-hydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)oxane-3,4,5-triol ChemAxon average_mass 1031.1842 ChemAxon mono_mass 1030.534859686 ChemAxon smiles CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C33COC2(C3)O1 ChemAxon formula C51H82O21 ChemAxon inchi InChI=1S/C51H82O21/c1-22(2)14-23-15-49(7,62)41-24-8-9-30-47(5)12-11-31(46(3,4)29(47)10-13-48(30,6)50(24)20-51(41,72-23)66-21-50)68-44-40(71-43-37(61)33(57)26(54)18-64-43)38(27(55)19-65-44)69-45-39(35(59)34(58)28(16-52)67-45)70-42-36(60)32(56)25(53)17-63-42/h14,23-45,52-62H,8-13,15-21H2,1-7H3 ChemAxon inchikey QVKNFOCNXKZPMO-UHFFFAOYSA-N ChemAxon polar_surface_area 314.83 ChemAxon refractivity 246.58 ChemAxon polarizability 108.97 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74316 Specdb::MsMs 74317 Specdb::MsMs 74318 Specdb::MsMs 133674 Specdb::MsMs 133675 Specdb::MsMs 133676 Specdb::MsMs 2387153 Specdb::MsMs 2387154 Specdb::MsMs 2387155 Specdb::MsMs 2577993 Specdb::MsMs 2577994 Specdb::MsMs 2577995 Specdb::NmrOneD 129898 Specdb::NmrOneD 129899 Specdb::NmrOneD 129900 Specdb::NmrOneD 129901 Specdb::NmrOneD 129902 Specdb::NmrOneD 129903 Specdb::NmrOneD 129904 Specdb::NmrOneD 129905 Specdb::NmrOneD 129906 Specdb::NmrOneD 129907 Specdb::NmrOneD 129908 Specdb::NmrOneD 129909 Specdb::NmrOneD 129910 Specdb::NmrOneD 129911 Specdb::NmrOneD 129912 Specdb::NmrOneD 129913 Specdb::NmrOneD 129914 Specdb::NmrOneD 129915 Specdb::NmrOneD 129916 Specdb::NmrOneD 129917 HMDB35060 31797 #<Reference:0x000055ce320088f8> #<Reference:0x000055ce32008740> #<Reference:0x000055ce32008588> #<Reference:0x000055ce320083d0> #<Reference:0x000055ce32008218> #<Reference:0x000055ce32008060> #<Reference:0x000055ce32007ea8> #<Reference:0x000055ce32007cf0> #<Reference:0x000055ce32007b38> #<Reference:0x000055ce32007980> #<Reference:0x000055ce320077c8> #<Reference:0x000055ce32007610> #<Reference:0x000055ce32007458> Fruits Unknown generic