1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:46 UTC FDB015121 Gladiatoside B2 Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside B2 is found in pulses. (-)-Gladiatoside B2 Gladiatoside B2 C47H56O25 1020.9325 1020.311067342 2-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate 2-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C1O InChI=1S/C47H56O25/c1-16-28(50)33(55)36(58)44(64-16)63-15-26-31(53)35(57)42(72-45-37(59)34(56)29(51)17(2)65-45)47(69-26)71-41-32(54)27-23(49)13-21(14-25(27)68-39(41)19-9-11-20(48)12-10-19)67-46-38(60)40(30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,40,42,44-53,55-60H,15H2,1-4H3 VUBCUXVHRXVASQ-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 Anisoles Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-glycosyl compounds O-methoxybenzoic acids and derivatives Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives 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 Anisole Aromatic heteropolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Chromone Ether Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound O-methoxybenzoic acid or derivatives Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.27 ALOGPS logs -2.79 ALOGPS solubility 1.64e+00 g/l ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate ChemAxon average_mass 1020.9325 ChemAxon mono_mass 1020.311067342 ChemAxon smiles COC1=C(C=CC=C1)C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3=O)=C2)C1O ChemAxon formula C47H56O25 ChemAxon inchi InChI=1S/C47H56O25/c1-16-28(50)33(55)36(58)44(64-16)63-15-26-31(53)35(57)42(72-45-37(59)34(56)29(51)17(2)65-45)47(69-26)71-41-32(54)27-23(49)13-21(14-25(27)68-39(41)19-9-11-20(48)12-10-19)67-46-38(60)40(30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,40,42,44-53,55-60H,15H2,1-4H3 ChemAxon inchikey VUBCUXVHRXVASQ-UHFFFAOYSA-N ChemAxon polar_surface_area 378.43 ChemAxon refractivity 235.92 ChemAxon polarizability 99.33 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 24 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134698 Specdb::NmrOneD 134699 Specdb::NmrOneD 134700 Specdb::NmrOneD 134701 Specdb::NmrOneD 134702 Specdb::NmrOneD 134703 Specdb::NmrOneD 134704 Specdb::NmrOneD 134705 Specdb::NmrOneD 134706 Specdb::NmrOneD 134707 Specdb::NmrOneD 134708 Specdb::NmrOneD 134709 Specdb::NmrOneD 134710 Specdb::NmrOneD 134711 Specdb::NmrOneD 134712 Specdb::NmrOneD 134713 Specdb::NmrOneD 134714 Specdb::NmrOneD 134715 Specdb::NmrOneD 134716 Specdb::NmrOneD 134717 Specdb::MsMs 53745 Specdb::MsMs 53746 Specdb::MsMs 53747 Specdb::MsMs 172662 Specdb::MsMs 172663 Specdb::MsMs 172664 Specdb::MsMs 2668780 Specdb::MsMs 2668781 Specdb::MsMs 2668782 Specdb::MsMs 3013556 Specdb::MsMs 3013557 Specdb::MsMs 3013558 HMDB36257 #<Reference:0x000055ce31eb9d08> Pulses Unknown generic