1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:32 UTC FDB011084 (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside Constituent of Cucurbita pepo and Momordica charantia (bitter melon). (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside is found in fruits. (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-O-b-D-glucopyranoside (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-O-b-D-glucoside C35H56O6 572.8155 572.407689524 2-({14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 99782-87-3 CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C InChI=1S/C35H56O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,21-24,26-33,36-39H,2,7,10,12-19H2,1,3-6H3/b9-8+ XUUMFDUVFVNHSM-CMDGGOBGSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic heteropolycyclic compounds Acetals Delta-7-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-7-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Stigmastane-skeleton Triterpenoid logp 5.51 ALOGPS logs -4.93 ALOGPS solubility 6.67e-03 g/l ALOGPS logp 5.36 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({14-[(3E)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 572.8155 ChemAxon mono_mass 572.407689524 ChemAxon smiles CCC(\C=C\C(C)C1CCC2C3=CCC4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)=C ChemAxon formula C35H56O6 ChemAxon inchi InChI=1S/C35H56O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,21-24,26-33,36-39H,2,7,10,12-19H2,1,3-6H3/b9-8+ ChemAxon inchikey XUUMFDUVFVNHSM-CMDGGOBGSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 163.07 ChemAxon polarizability 68.17 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14145 Specdb::CMs 43089 Specdb::CMs 282396 Specdb::CMs 370983 Specdb::CMs 370984 Specdb::CMs 370985 Specdb::CMs 370986 Specdb::CMs 370987 Specdb::CMs 370988 Specdb::CMs 370989 Specdb::CMs 370990 Specdb::CMs 370991 Specdb::CMs 370992 Specdb::CMs 370993 Specdb::CMs 370994 Specdb::CMs 370995 Specdb::CMs 370996 Specdb::CMs 370997 Specdb::CMs 370998 Specdb::CMs 370999 Specdb::CMs 371000 Specdb::CMs 371001 Specdb::CMs 371002 Specdb::CMs 371003 Specdb::CMs 371004 Specdb::MsMs 84303 Specdb::MsMs 84304 Specdb::MsMs 84305 Specdb::MsMs 146124 Specdb::MsMs 146125 Specdb::MsMs 146126 Specdb::MsMs 2705996 Specdb::MsMs 2705997 Specdb::MsMs 2705998 Specdb::MsMs 2998999 Specdb::MsMs 2999000 Specdb::MsMs 2999001 HMDB33089 #<Reference:0x000055ce31c5b1d8> Fruits Unknown generic