1.0 2010-04-08 22:12:49 UTC 2025-11-19 01:51:47 UTC FDB017061 Madlongiside D Constituent of the famine food Madhuca longifolia. Madlongiside D is found in fruits. Madlongiside D C41H66O14 782.9543 782.44525682 4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 8,10,11-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 4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 8,10,11-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 58019-21-9 CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C2(C)CC3)C(O)C(O)C1O InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3 XOBTZVANUMVPCS-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 7-hydroxysteroids Acetals Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 7-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 1.26 ALOGPS logs -3.28 ALOGPS solubility 4.07e-01 g/l ALOGPS melting_point Mp 230-232° logp 0.57 ChemAxon pka_strongest_acidic 12.11 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 8,10,11-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 782.9543 ChemAxon mono_mass 782.44525682 ChemAxon smiles CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C2(C)CC3)C(O)C(O)C1O ChemAxon formula C41H66O14 ChemAxon inchi InChI=1S/C41H66O14/c1-19-26(46)28(48)29(49)33(53-19)54-30-27(47)24(45)17-52-34(30)55-35(51)41-12-10-36(2,3)14-21(41)20-8-9-25-37(4)15-23(44)32(50)38(5,18-42)31(37)22(43)16-40(25,7)39(20,6)11-13-41/h8,19,21-34,42-50H,9-18H2,1-7H3 ChemAxon inchikey XOBTZVANUMVPCS-UHFFFAOYSA-N ChemAxon polar_surface_area 236.06 ChemAxon refractivity 195.69 ChemAxon polarizability 84.37 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76554 Specdb::MsMs 76555 Specdb::MsMs 76556 Specdb::MsMs 136416 Specdb::MsMs 136417 Specdb::MsMs 136418 Specdb::MsMs 2422872 Specdb::MsMs 2422873 Specdb::MsMs 2422874 Specdb::MsMs 2513150 Specdb::MsMs 2513151 Specdb::MsMs 2513152 Specdb::CMs 785315 Specdb::CMs 785316 Specdb::CMs 785317 Specdb::CMs 785318 Specdb::CMs 785319 Specdb::CMs 785320 Specdb::CMs 785321 Specdb::CMs 785322 Specdb::CMs 785323 Specdb::CMs 785324 Specdb::CMs 785325 Specdb::CMs 785326 Specdb::CMs 785327 Specdb::CMs 785328 Specdb::CMs 785329 Specdb::CMs 785330 Specdb::CMs 785331 Specdb::CMs 785332 HMDB37905 #<Reference:0x000055ce314a0678> Fruits Unknown generic