1.0 2010-04-08 22:14:55 UTC 2025-11-19 02:29:26 UTC FDB020290 Sanguisorbin E Constituent of burnet bloodwort (Sanguisorba officinalis). Sanguisorbin E is found in tea and herbs and spices. Sanguisorbin E C43H68O13 792.9922 792.465992262 4-(acetyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 4-(acetyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate 33055-20-8 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(OC(C)=O)C1O InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3 SWZMTTVYUGMJST-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 Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpene saponin Triterpenoid logp 3.95 ALOGPS logs -4.60 ALOGPS solubility 2.00e-02 g/l ALOGPS melting_point Mp 190-192° logp 3.61 ChemAxon pka_strongest_acidic 11.94 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-(acetyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 792.9922 ChemAxon mono_mass 792.465992262 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(CO)C(O)C(OC(C)=O)C1O ChemAxon formula C43H68O13 ChemAxon inchi InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3 ChemAxon inchikey SWZMTTVYUGMJST-UHFFFAOYSA-N ChemAxon polar_surface_area 201.67 ChemAxon refractivity 201.73 ChemAxon polarizability 87.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787379 Specdb::CMs 787380 Specdb::CMs 787381 Specdb::CMs 787382 Specdb::CMs 787383 Specdb::CMs 787384 Specdb::MsMs 316762 Specdb::MsMs 316763 Specdb::MsMs 316764 Specdb::MsMs 363118 Specdb::MsMs 363119 Specdb::MsMs 363120 Specdb::MsMs 2411572 Specdb::MsMs 2411573 Specdb::MsMs 2411574 Specdb::MsMs 2550657 Specdb::MsMs 2550658 Specdb::MsMs 2550659 HMDB40523 #<Reference:0x000055ce32c24df8> 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