1.0 2010-04-08 22:15:46 UTC 2018-05-29 01:51:44 UTC FDB021532 Hovenidulcioside B2 Constituent of Hovenia dulcis (raisin tree) Hovenidulcioside B2 C38H60O12 708.8758 708.408477384 3-(4'b,8',8',10'a-tetramethyl-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-2'-yl)-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate 3-(4'b,8',8',10'a-tetramethyl-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrospiro[oxolane-3,1'-phenanthrene]-2'-yl)-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate 174902-17-1 CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1 InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3 ZWAMUWXPVAELPG-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Diterpene lactones Diterpenoids Gamma butyrolactones Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives Abeoabietane diterpenoid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpene glycoside Diterpene lactone Diterpenoid Gamma butyrolactone Glycosyl compound Hydrocarbon derivative Lactone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenanthrene Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 3.15 ALOGPS logs -4.75 ALOGPS solubility 1.25e-02 g/l ALOGPS melting_point Mp 133-136° logp 2.75 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(4'b,8',8',10'a-tetramethyl-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthrene]-2'-yl)-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl acetate ChemAxon average_mass 708.8758 ChemAxon mono_mass 708.408477384 ChemAxon smiles CC(C(CC1CC(C)C(=O)O1)OC(C)=O)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1 ChemAxon formula C38H60O12 ChemAxon inchi InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3 ChemAxon inchikey ZWAMUWXPVAELPG-UHFFFAOYSA-N ChemAxon polar_surface_area 178.28 ChemAxon refractivity 177.9 ChemAxon polarizability 77.2 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 754112 Specdb::CMs 754113 Specdb::CMs 754114 Specdb::CMs 754115 Specdb::CMs 754116 Specdb::CMs 754117 Specdb::CMs 754118 Specdb::CMs 754119 Specdb::CMs 754120 Specdb::CMs 754121 Specdb::CMs 754122 Specdb::CMs 754123 Specdb::CMs 754124 Specdb::CMs 754125 Specdb::MsMs 320929 Specdb::MsMs 320930 Specdb::MsMs 320931 Specdb::MsMs 368425 Specdb::MsMs 368426 Specdb::MsMs 368427 Specdb::MsMs 2716018 Specdb::MsMs 2716019 Specdb::MsMs 2716020 Specdb::MsMs 2962089 Specdb::MsMs 2962090 Specdb::MsMs 2962091 HMDB41549 #<Reference:0x000055ce30d19300>