1.0 2010-04-08 22:10:28 UTC 2019-11-26 03:07:50 UTC FDB013001 Sericoside Constituent of Quercus ilex (holly oak). Sericoside is found in coffee and coffee products and fats and oils. Sericoside C36H58O11 666.8391 666.397912698 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 55306-04-2 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3 CMZFNIMQBCBHEX-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 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 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 1.84 ALOGPS logs -3.48 ALOGPS solubility 2.19e-01 g/l ALOGPS melting_point Mp 209° logp 0.82 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 666.8391 ChemAxon mono_mass 666.397912698 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H58O11 ChemAxon inchi InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3 ChemAxon inchikey CMZFNIMQBCBHEX-UHFFFAOYSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 170.63 ChemAxon polarizability 72.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7229 Specdb::MsMs 7230 Specdb::MsMs 7231 Specdb::MsMs 12326 Specdb::MsMs 12327 Specdb::MsMs 12328 Specdb::MsMs 13901 Specdb::MsMs 13902 Specdb::MsMs 13903 Specdb::MsMs 18998 Specdb::MsMs 18999 Specdb::MsMs 19000 Specdb::MsMs 2680119 Specdb::MsMs 2680120 Specdb::MsMs 2680121 Specdb::MsMs 3025308 Specdb::MsMs 3025309 Specdb::MsMs 3025310 Specdb::CMs 699619 Specdb::CMs 699620 Specdb::CMs 699621 Specdb::CMs 699622 Specdb::CMs 699623 Specdb::CMs 699624 Specdb::CMs 699625 Specdb::CMs 699626 Specdb::CMs 699627 Specdb::CMs 699628 Specdb::CMs 699629 Specdb::CMs 699630 Specdb::CMs 699631 Specdb::CMs 699632 Specdb::CMs 699633 Specdb::CMs 699634 Specdb::CMs 699635 Specdb::CMs 699636 Specdb::CMs 699637 Specdb::CMs 699638 Specdb::CMs 699639 Specdb::CMs 699640 Specdb::CMs 699641 Specdb::CMs 699642 Specdb::CMs 699643 HMDB34504 #<Reference:0x000055ce31ff5e60> #<Reference:0x000055ce31ff5ca8> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Fats and oils Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390