1.0 2010-04-08 22:11:07 UTC 2019-11-26 03:09:38 UTC FDB014185 Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside] Constituent of Cyclanthera pedata (achoccha). Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside] is found in fruits. Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside] Fevicordin B 2-O-[a-L-rhamnopyranoyl-(1->4)-b-D-glucopyransoyl-(1->6)-b-D-glucopyranoside] C49H74O22 1015.0987 1014.467174052 6-(4-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate 6-(4-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate 178062-93-6 CC1OC(OC2C(CO)OC(OCC3OC(OC4=C(O)C(C)=C5CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C6(C)C5=C4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3 MTLIDTCASADKNT-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aromatic heteropolycyclic compounds 11-oxosteroids 16-hydroxysteroids 3-hydroxysteroids Acetals Acyloins Alkyl glycosides Alpha-hydroxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Phenolic glycosides Polyols Primary alcohols Secondary alcohols Steroid esters Tertiary alcohols Tetralins 11-oxosteroid 16-hydroxysteroid 20-hydroxysteroid 21-oxosteroid 22-oxosteroid 3-hydroxysteroid Acetal Acyloin Alcohol Alkyl glycoside Alpha-hydroxy ketone Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Phenanthrene Phenolic glycoside Polyol Primary alcohol Secondary alcohol Steroid ester Steroidal glycoside Tertiary alcohol Tetralin logp 1.11 ALOGPS logs -2.94 ALOGPS solubility 1.17e+00 g/l ALOGPS logp -0.76 ChemAxon pka_strongest_acidic 10.23 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-(4-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate ChemAxon average_mass 1015.0987 ChemAxon mono_mass 1014.467174052 ChemAxon smiles CC1OC(OC2C(CO)OC(OCC3OC(OC4=C(O)C(C)=C5CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C6(C)C5=C4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C49H74O22 ChemAxon inchi InChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3 ChemAxon inchikey MTLIDTCASADKNT-UHFFFAOYSA-N ChemAxon polar_surface_area 358.58 ChemAxon refractivity 241.91 ChemAxon polarizability 105.31 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 21 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57927 Specdb::MsMs 57928 Specdb::MsMs 57929 Specdb::MsMs 113739 Specdb::MsMs 113740 Specdb::MsMs 113741 Specdb::MsMs 2690882 Specdb::MsMs 2690883 Specdb::MsMs 2690884 Specdb::MsMs 2988596 Specdb::MsMs 2988597 Specdb::MsMs 2988598 Specdb::NmrOneD 131918 Specdb::NmrOneD 131919 Specdb::NmrOneD 131920 Specdb::NmrOneD 131921 Specdb::NmrOneD 131922 Specdb::NmrOneD 131923 Specdb::NmrOneD 131924 Specdb::NmrOneD 131925 Specdb::NmrOneD 131926 Specdb::NmrOneD 131927 Specdb::NmrOneD 131928 Specdb::NmrOneD 131929 Specdb::NmrOneD 131930 Specdb::NmrOneD 131931 Specdb::NmrOneD 131932 Specdb::NmrOneD 131933 Specdb::NmrOneD 131934 Specdb::NmrOneD 131935 Specdb::NmrOneD 131936 Specdb::NmrOneD 131937 HMDB35498 #<Reference:0x000055ce3188fec8> Fruits Unknown generic