1.0 2010-04-08 22:11:50 UTC 2019-11-26 03:11:34 UTC FDB015423 Licoagroside B Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroside B is found in tea and herbs and spices. Licoagroside B C18H24O12 432.376 432.126776232 3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acid 3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acid CC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(=O)C=CO1 InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21) WCVUIHQUPRXYKT-UHFFFAOYSA-N belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. Saccharolipids Organic compounds Lipids and lipid-like molecules Saccharolipids Aromatic heteromonocyclic compounds Acetals Carboxylic acid esters Carboxylic acids Cyclic ketones Dicarboxylic acids and derivatives Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Tertiary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Pyranone Saccharolipid Secondary alcohol Tertiary alcohol logp -1.15 ALOGPS logs -1.81 ALOGPS solubility 6.70e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acid ChemAxon average_mass 432.376 ChemAxon mono_mass 432.126776232 ChemAxon smiles CC1=C(OC2OC(COC(=O)CC(C)(O)CC(O)=O)C(O)C(O)C2O)C(=O)C=CO1 ChemAxon formula C18H24O12 ChemAxon inchi InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21) ChemAxon inchikey WCVUIHQUPRXYKT-UHFFFAOYSA-N ChemAxon polar_surface_area 189.28 ChemAxon refractivity 96.78 ChemAxon polarizability 40.34 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19601 Specdb::CMs 44893 Specdb::CMs 161226 Specdb::MsMs 50610 Specdb::MsMs 50611 Specdb::MsMs 50612 Specdb::MsMs 134607 Specdb::MsMs 134608 Specdb::MsMs 134609 Specdb::MsMs 2227960 Specdb::MsMs 2229185 Specdb::MsMs 2230253 Specdb::MsMs 2695974 Specdb::MsMs 2695975 Specdb::MsMs 2695976 Specdb::MsMs 2982086 Specdb::MsMs 2982087 Specdb::MsMs 2982088 Specdb::NmrOneD 136430 Specdb::NmrOneD 136431 Specdb::NmrOneD 136432 Specdb::NmrOneD 136433 Specdb::NmrOneD 136434 Specdb::NmrOneD 136435 Specdb::NmrOneD 136436 Specdb::NmrOneD 136437 Specdb::NmrOneD 136438 Specdb::NmrOneD 136439 Specdb::NmrOneD 136440 Specdb::NmrOneD 136441 Specdb::NmrOneD 136442 Specdb::NmrOneD 136443 Specdb::NmrOneD 136444 Specdb::NmrOneD 136445 Specdb::NmrOneD 136446 Specdb::NmrOneD 136447 Specdb::NmrOneD 136448 Specdb::NmrOneD 136449 HMDB36523 41132 #<Reference:0x000055ce31843fa0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442