1.0 2010-04-08 22:13:19 UTC 2025-11-19 02:02:51 UTC FDB017811 28-Glucosylpomolate Constituent of Sanguisorba officinalis (burnet bloodwort). 28-Glucosylpomolate is found in tea and herbs and spices. 28-Glucosylpomolate 28-O-b-D-Glucopyranosylpomolate 3beta,19alpha-Dihydroxy-12-ursen-28-oic acid 28-O-b-D-glucopyranosyl ester Pomolic acid 28-O-b-D-glucopyranosyl ester C36H58O9 634.8403 634.408083454 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 83725-24-0 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3 RRIMLWHUVCZACL-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 Cyclic alcohols and derivatives Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Triterpene saponin Triterpenoid logp 4.05 ALOGPS logs -4.29 ALOGPS solubility 3.25e-02 g/l ALOGPS melting_point Mp 279-280° logp 3.08 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-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 634.8403 ChemAxon mono_mass 634.408083454 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H58O9 ChemAxon inchi InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3 ChemAxon inchikey RRIMLWHUVCZACL-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 167.73 ChemAxon polarizability 70.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79308 Specdb::MsMs 79309 Specdb::MsMs 79310 Specdb::MsMs 139869 Specdb::MsMs 139870 Specdb::MsMs 139871 Specdb::MsMs 2729572 Specdb::MsMs 2729573 Specdb::MsMs 2729574 Specdb::MsMs 2975438 Specdb::MsMs 2975439 Specdb::MsMs 2975440 Specdb::CMs 592660 Specdb::CMs 592661 Specdb::CMs 592662 Specdb::CMs 592663 Specdb::CMs 592664 Specdb::CMs 592665 Specdb::CMs 592666 Specdb::CMs 592667 Specdb::CMs 592668 Specdb::CMs 592669 Specdb::CMs 592670 Specdb::CMs 592671 Specdb::CMs 592672 Specdb::CMs 592673 Specdb::CMs 592674 Specdb::CMs 592675 Specdb::CMs 592676 Specdb::CMs 592677 Specdb::CMs 592678 Specdb::CMs 592679 Specdb::CMs 592680 Specdb::CMs 592681 Specdb::CMs 592682 Specdb::CMs 592683 Specdb::CMs 592684 HMDB38452 #<Reference:0x000055ce323da238> 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