1.0 2010-04-08 22:14:04 UTC 2019-11-26 03:16:58 UTC FDB018988 Phaseoloside E Isolated from Phaseolus vulgaris (kidney bean). Phaseoloside E is found in pulses, yellow wax bean, and green bean. air edale blue 2bd Airedale Blue 2BD aizen direct blue 2bh amanil blue 2bx atlantic blue 2b atul direct blue 2b azocard blue 2b azomine blue 2b belamine blue 2b bencidal blue 2b benzanil blue 2b Benzo blue bba-CF Benzo blue BBN-CF Benzo blue GS blue 2b Blue 2B salt Brasilamina Blue 2B brazilamina blue 2b C.I. Dir ect blue 6, tetrasodium salt C.I. Direct Blue 6 C.I. Direct Blue 6, tetrasodium salt calcomine blue 2b chloramine blue 2b Chlorazol blue b Chlorazol blue BP chrome leather blue 2b cresotine blue 2b Diacotton blue BB Diamine blue diamine blue 2b Diamine blue BB Diaphtamine blue BB diazine blu e 2b Diazine Blue 2B diazol blue 2b diphenyl blue 2b Diphenyl blue KF Diphenyl Blue M2B Direct blue direct blue 2b Direct Blue 2BA Direct Blue 6 Direct Blue 6 (technical grade) Direct blue a Direct blue BB Direct blue GS Direct blue k Direct Blue M2B Direct SKY blue k enianil blue 2bn fenamin blue 2b fixanol blue 2b hispamin blue 2b indigo blue 2b Kayaku direct Kayaku direct blue BB mitsui direct blue 2bn naphtamine blue 2b niagara blue 2b Nippon blue BB paramine blue 2b Phaseoloside E Phenamine blue BB pheno blue 2b Pontamine blue BB tertrodirect blue 2b vondacel blu e 2b Vondacel Blue 2B C77H124O41 1705.7839 1704.76180347 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,12b,14a-dodecahydropicen-3-yl]oxy}oxane-2-carboxylic acid 30915-09-4 CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) PZPHULADDDWLGC-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Steroids and steroid derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp -0.42 ALOGPS logs -2.38 ALOGPS solubility 7.16e+00 g/l ALOGPS logp -6.4 ChemAxon pka_strongest_acidic 3.35 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 1705.7839 ChemAxon mono_mass 1704.76180347 ChemAxon smiles CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C77H124O41 ChemAxon inchi InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) ChemAxon inchikey PZPHULADDDWLGC-UHFFFAOYSA-N ChemAxon polar_surface_area 650.27 ChemAxon refractivity 386.73 ChemAxon polarizability 171.91 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 41 ChemAxon donor_count 24 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 32842 Specdb::NmrOneD 32843 Specdb::NmrOneD 32844 Specdb::NmrOneD 32845 Specdb::NmrOneD 32846 Specdb::NmrOneD 32847 Specdb::NmrOneD 32848 Specdb::NmrOneD 32849 Specdb::NmrOneD 32850 Specdb::NmrOneD 32851 Specdb::NmrOneD 32852 Specdb::NmrOneD 32853 Specdb::NmrOneD 32854 Specdb::NmrOneD 32855 Specdb::NmrOneD 32856 Specdb::NmrOneD 32857 Specdb::NmrOneD 32858 Specdb::NmrOneD 32859 Specdb::NmrOneD 32860 Specdb::NmrOneD 32861 Specdb::MsMs 297580 Specdb::MsMs 297581 Specdb::MsMs 297582 Specdb::MsMs 339145 Specdb::MsMs 339146 Specdb::MsMs 339147 Specdb::MsMs 2327193 Specdb::MsMs 2327194 Specdb::MsMs 2327195 Specdb::MsMs 2612203 Specdb::MsMs 2612204 Specdb::MsMs 2612205 HMDB39411 #<Reference:0x000055ce322ea120> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885