1.0 2010-04-08 22:13:27 UTC 2019-11-26 03:15:33 UTC FDB018009 Trigofoenoside F Isolated from fenugreek seeds. Trigofoenoside F is found in herbs and spices and fenugreek. Trigofoenoside F C51H84O23 1065.1989 1064.540338994 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxane-3,4,5-triol 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxane-3,4,5-triol 94714-56-4 CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C51H84O23/c1-20(18-66-45-41(62)38(59)34(55)29(16-52)70-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)69-47-43(64)39(60)36(57)31(72-47)19-67-48-44(40(61)35(56)30(17-53)71-48)73-46-42(63)37(58)33(54)22(3)68-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 BHXVNJJNKMZPQB-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Steroidal saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Acetals Alkyl glycosides Delta-5-steroids Diterpene glycosides Diterpenoids Furostanes and derivatives Hemiacetals Hydrocarbon derivatives Hydroxysteroids O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 22-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Delta-5-steroid Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Furostane-skeleton Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal saponin Terpene glycoside Tetrahydrofuran logp -0.68 ALOGPS logs -3.00 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 233-236° logp -2.3 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 1065.1989 ChemAxon mono_mass 1064.540338994 ChemAxon smiles CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C51H84O23 ChemAxon inchi InChI=1S/C51H84O23/c1-20(18-66-45-41(62)38(59)34(55)29(16-52)70-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)69-47-43(64)39(60)36(57)31(72-47)19-67-48-44(40(61)35(56)30(17-53)71-48)73-46-42(63)37(58)33(54)22(3)68-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 ChemAxon inchikey BHXVNJJNKMZPQB-UHFFFAOYSA-N ChemAxon polar_surface_area 366.29 ChemAxon refractivity 251.89 ChemAxon polarizability 113.15 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 23 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 27582 Specdb::NmrOneD 27583 Specdb::NmrOneD 27584 Specdb::NmrOneD 27585 Specdb::NmrOneD 27586 Specdb::NmrOneD 27587 Specdb::NmrOneD 27588 Specdb::NmrOneD 27589 Specdb::NmrOneD 27590 Specdb::NmrOneD 27591 Specdb::NmrOneD 27592 Specdb::NmrOneD 27593 Specdb::NmrOneD 27594 Specdb::NmrOneD 27595 Specdb::NmrOneD 27596 Specdb::NmrOneD 27597 Specdb::NmrOneD 27598 Specdb::NmrOneD 27599 Specdb::NmrOneD 27600 Specdb::NmrOneD 27601 Specdb::MsMs 88149 Specdb::MsMs 88150 Specdb::MsMs 88151 Specdb::MsMs 150831 Specdb::MsMs 150832 Specdb::MsMs 150833 Specdb::MsMs 2670678 Specdb::MsMs 2670679 Specdb::MsMs 2670680 Specdb::MsMs 3010686 Specdb::MsMs 3010687 Specdb::MsMs 3010688 HMDB38615 #<Reference:0x000055ce3010b7c0> Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Herbs and Spices Unknown generic