1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:37 UTC FDB016015 (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside Constituent of Momordica charantia (bitter melon). (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside is found in fruits. (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-O-b-D-glucopyranoside (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-O-b-D-glucoside C36H60O8 620.8568 620.428818896 2-{[5-hydroxy-14-(4-hydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[5-hydroxy-14-(4-hydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 79-01-6 CC(CC(O)C=C(C)C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3 POYBZOIHJHDZFP-UHFFFAOYSA-N belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cucurbitacins Aliphatic heteropolycyclic compounds 3-hydroxy delta-5-steroids Acetals Cyclic alcohols and derivatives Delta-5-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 23-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 3.56 ALOGPS logs -4.62 ALOGPS solubility 1.50e-02 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -0.74 ChemAxon iupac 2-{[5-hydroxy-14-(4-hydroxy-6-methylhept-5-en-2-yl)-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 620.8568 ChemAxon mono_mass 620.428818896 ChemAxon smiles CC(CC(O)C=C(C)C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C ChemAxon formula C36H60O8 ChemAxon inchi InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3 ChemAxon inchikey POYBZOIHJHDZFP-UHFFFAOYSA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 170.18 ChemAxon polarizability 70.74 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72282 Specdb::MsMs 72283 Specdb::MsMs 72284 Specdb::MsMs 131142 Specdb::MsMs 131143 Specdb::MsMs 131144 Specdb::MsMs 2385596 Specdb::MsMs 2385597 Specdb::MsMs 2385598 Specdb::MsMs 2576610 Specdb::MsMs 2576611 Specdb::MsMs 2576612 Specdb::CMs 17093 Specdb::CMs 45190 Specdb::CMs 544072 Specdb::CMs 544073 Specdb::CMs 544074 Specdb::CMs 544075 Specdb::CMs 544076 Specdb::CMs 544077 Specdb::CMs 544078 Specdb::CMs 544079 Specdb::CMs 544080 Specdb::CMs 544081 Specdb::CMs 544082 Specdb::CMs 544083 Specdb::CMs 544084 Specdb::CMs 544085 Specdb::CMs 544086 Specdb::CMs 544087 Specdb::CMs 544088 Specdb::CMs 544089 Specdb::CMs 544090 Specdb::CMs 544091 Specdb::CMs 544092 Specdb::CMs 544093 Specdb::CMs 544094 HMDB37034 #<Reference:0x000055ce2ec7dcb8> Fruits Unknown generic