1.0 2010-04-08 22:15:02 UTC 2019-11-26 03:18:57 UTC FDB020450 Mabioside D Constituent of Colubrina elliptica (mabi). Mabioside D is found in beverages. C42H70O14 798.9968 798.476556948 1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-en-1-yl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-3,4,7-triol 1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-en-1-yl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-3,4,7-triol 156980-55-1 CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC6(O)C(O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3 ORJZPSXCNAQWIV-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 16-hydroxysteroids Acetals Cyclic alcohols and derivatives Disaccharides Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Steroidal glycosides Tertiary alcohols Tetrahydrofurans 15-hydroxysteroid 16-hydroxysteroid 20-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Steroid Steroidal glycoside Tertiary alcohol Tetrahydrofuran Triterpenoid logp 2.34 ALOGPS logs -3.65 ALOGPS solubility 1.79e-01 g/l ALOGPS logp 2.08 ChemAxon pka_strongest_acidic 10.79 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-en-1-yl)-16-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-3,4,7-triol ChemAxon average_mass 798.9968 ChemAxon mono_mass 798.476556948 ChemAxon smiles CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6C(C)(O)C(CC=C(C)C)OC6(O)C(O)C54C)C3(C)C)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C42H70O14 ChemAxon inchi InChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3 ChemAxon inchikey ORJZPSXCNAQWIV-UHFFFAOYSA-N ChemAxon polar_surface_area 228.22 ChemAxon refractivity 200.82 ChemAxon polarizability 88.49 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787648 Specdb::CMs 787649 Specdb::CMs 787650 Specdb::CMs 787651 Specdb::CMs 787652 Specdb::CMs 787653 Specdb::CMs 787654 Specdb::CMs 787655 Specdb::CMs 787656 Specdb::MsMs 292357 Specdb::MsMs 292358 Specdb::MsMs 292359 Specdb::MsMs 332527 Specdb::MsMs 332528 Specdb::MsMs 332529 Specdb::MsMs 2801563 Specdb::MsMs 2801564 Specdb::MsMs 2801565 Specdb::MsMs 2877884 Specdb::MsMs 2877885 Specdb::MsMs 2877886 HMDB40655 #<Reference:0x000055ce2f2a14a0> Beverages Unknown generic