1.0 2010-04-08 22:15:17 UTC 2019-11-26 03:19:31 UTC FDB020824 Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside Isolated from Vicia faba. Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside is found in pulses and broad bean. a-Rhamnoisorobin 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-galactopyranoside] Kaempferol 3-(2''-rhamnosylgalactoside) 7-rhamnoside Kaempferol 3-[rhamnosyl-(1->2)-galactoside] 7-rhamnoside Kaempferol 3-rhamnosyl-(1->2)-galactoside 7-rhamnoside Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-rhamnoside C33H40O19 740.6593 740.216379098 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one 124027-49-2 CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3 DDELFAUOHDSZJL-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aryl-aldehydes Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Vinylogous amides Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Vinylogous amide logp -0.26 ALOGPS logs -2.09 ALOGPS solubility 6.09e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 740.6593 ChemAxon mono_mass 740.216379098 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O19 ChemAxon inchi InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3 ChemAxon inchikey DDELFAUOHDSZJL-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 168.76 ChemAxon polarizability 71.78 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 769749 Specdb::CMs 769750 Specdb::CMs 769751 Specdb::CMs 769752 Specdb::CMs 769753 Specdb::CMs 769754 Specdb::CMs 769755 Specdb::CMs 769756 Specdb::CMs 769757 Specdb::CMs 769758 Specdb::CMs 769759 Specdb::CMs 769760 Specdb::CMs 769761 Specdb::CMs 769762 Specdb::CMs 769763 Specdb::CMs 769764 Specdb::CMs 769765 Specdb::CMs 769766 Specdb::CMs 769767 Specdb::CMs 769768 Specdb::CMs 769769 Specdb::CMs 769770 Specdb::CMs 769771 Specdb::CMs 769772 Specdb::CMs 769773 Specdb::NmrOneD 44342 Specdb::NmrOneD 44343 Specdb::NmrOneD 44344 Specdb::NmrOneD 44345 Specdb::NmrOneD 44346 Specdb::NmrOneD 44347 Specdb::NmrOneD 44348 Specdb::NmrOneD 44349 Specdb::NmrOneD 44350 Specdb::NmrOneD 44351 Specdb::NmrOneD 44352 Specdb::NmrOneD 44353 Specdb::NmrOneD 44354 Specdb::NmrOneD 44355 Specdb::NmrOneD 44356 Specdb::NmrOneD 44357 Specdb::NmrOneD 44358 Specdb::NmrOneD 44359 Specdb::NmrOneD 44360 Specdb::NmrOneD 44361 Specdb::MsMs 12599 Specdb::MsMs 12600 Specdb::MsMs 12601 Specdb::MsMs 19271 Specdb::MsMs 19272 Specdb::MsMs 19273 Specdb::MsMs 2712896 Specdb::MsMs 2712897 Specdb::MsMs 2712898 Specdb::MsMs 2965590 Specdb::MsMs 2965591 Specdb::MsMs 2965592 HMDB40969 #<Reference:0x000055ce325e2558> Broad bean Type 1 specific Vicia faba 3906 Pulses Unknown generic