1.0 2010-04-08 22:11:39 UTC 2019-11-26 03:11:11 UTC FDB015099 6''-O-alpha-D-Galactopyranosylciceritol Isolated from chickpeas. 6''-O-alpha-D-Galactopyranosylciceritol is found in pulses. 6''-O-a-D-Galactopyranosylciceritol C25H44O21 680.6043 680.23750847 (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol 92675-08-6 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C25H44O21/c1-40-21-15(34)14(33)16(35)22(20(21)39)46-25-19(38)13(32)10(29)7(45-25)4-42-24-18(37)12(31)9(28)6(44-24)3-41-23-17(36)11(30)8(27)5(2-26)43-23/h5-39H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1 UMROTOJYTIKHPJ-NKPCKLMGSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Cyclitols and derivatives Cyclohexanols Dialkyl ethers Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.41 ALOGPS logs -0.55 ALOGPS solubility 1.90e+02 g/l ALOGPS logp -8.5 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol ChemAxon average_mass 680.6043 ChemAxon mono_mass 680.23750847 ChemAxon smiles CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C25H44O21 ChemAxon inchi InChI=1S/C25H44O21/c1-40-21-15(34)14(33)16(35)22(20(21)39)46-25-19(38)13(32)10(29)7(45-25)4-42-24-18(37)12(31)9(28)6(44-24)3-41-23-17(36)11(30)8(27)5(2-26)43-23/h5-39H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1 ChemAxon inchikey UMROTOJYTIKHPJ-NKPCKLMGSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 137.77 ChemAxon polarizability 63.12 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134558 Specdb::NmrOneD 134559 Specdb::NmrOneD 134560 Specdb::NmrOneD 134561 Specdb::NmrOneD 134562 Specdb::NmrOneD 134563 Specdb::NmrOneD 134564 Specdb::NmrOneD 134565 Specdb::NmrOneD 134566 Specdb::NmrOneD 134567 Specdb::NmrOneD 134568 Specdb::NmrOneD 134569 Specdb::NmrOneD 134570 Specdb::NmrOneD 134571 Specdb::NmrOneD 134572 Specdb::NmrOneD 134573 Specdb::NmrOneD 134574 Specdb::NmrOneD 134575 Specdb::NmrOneD 134576 Specdb::NmrOneD 134577 Specdb::MsMs 44103 Specdb::MsMs 44104 Specdb::MsMs 44105 Specdb::MsMs 160515 Specdb::MsMs 160516 Specdb::MsMs 160517 Specdb::MsMs 2696862 Specdb::MsMs 2696863 Specdb::MsMs 2696864 Specdb::MsMs 2981255 Specdb::MsMs 2981256 Specdb::MsMs 2981257 Specdb::CMs 722725 Specdb::CMs 722726 Specdb::CMs 722727 Specdb::CMs 722728 Specdb::CMs 722729 Specdb::CMs 722730 Specdb::CMs 722731 Specdb::CMs 722732 Specdb::CMs 722733 Specdb::CMs 722734 Specdb::CMs 722735 Specdb::CMs 722736 Specdb::CMs 722737 Specdb::CMs 722738 Specdb::CMs 722739 Specdb::CMs 722740 Specdb::CMs 722741 Specdb::CMs 722742 Specdb::CMs 722743 Specdb::CMs 722744 Specdb::CMs 722745 Specdb::CMs 722746 Specdb::CMs 722747 Specdb::CMs 722748 Specdb::CMs 722749 HMDB36241 #<Reference:0x00007f093c189e70> Pulses Unknown generic