1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:44 UTC FDB015112 Foetidissimoside B Constituent of Cucurbita foetidissima (buffalo gourd). Foetidissimoside B is found in fats and oils. Foetidissimoside B C63H100O31 1353.4495 1352.624856482 6-{[8a-({[3-({4-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6-{[8a-({[3-({4-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 252979-60-5 CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)C(O)C1O InChI=1S/C63H100O31/c1-23-45(89-51-40(75)34(69)26(65)20-83-51)47(91-52-43(78)46(28(67)22-84-52)90-53-41(76)37(72)36(71)29(19-64)87-53)44(79)55(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-54-42(77)38(73)39(74)48(92-54)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81) FYEQTPKVWSYEIB-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Triterpene saponin Triterpenoid logp 0.19 ALOGPS logs -2.61 ALOGPS solubility 3.30e+00 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-{[8a-({[3-({4-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 1353.4495 ChemAxon mono_mass 1352.624856482 ChemAxon smiles CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC4(C)C2(C)CC3O)C(O)C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OCC(O)C(O)C1O ChemAxon formula C63H100O31 ChemAxon inchi InChI=1S/C63H100O31/c1-23-45(89-51-40(75)34(69)26(65)20-83-51)47(91-52-43(78)46(28(67)22-84-52)90-53-41(76)37(72)36(71)29(19-64)87-53)44(79)55(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-54-42(77)38(73)39(74)48(92-54)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81) ChemAxon inchikey FYEQTPKVWSYEIB-UHFFFAOYSA-N ChemAxon polar_surface_area 488.81 ChemAxon refractivity 310.07 ChemAxon polarizability 138.03 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 30 ChemAxon donor_count 17 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76317 Specdb::MsMs 76318 Specdb::MsMs 76319 Specdb::MsMs 136122 Specdb::MsMs 136123 Specdb::MsMs 136124 Specdb::MsMs 2844782 Specdb::MsMs 2844783 Specdb::MsMs 2844784 Specdb::MsMs 2860474 Specdb::MsMs 2860475 Specdb::MsMs 2860476 Specdb::NmrOneD 134658 Specdb::NmrOneD 134659 Specdb::NmrOneD 134660 Specdb::NmrOneD 134661 Specdb::NmrOneD 134662 Specdb::NmrOneD 134663 Specdb::NmrOneD 134664 Specdb::NmrOneD 134665 Specdb::NmrOneD 134666 Specdb::NmrOneD 134667 Specdb::NmrOneD 134668 Specdb::NmrOneD 134669 Specdb::NmrOneD 134670 Specdb::NmrOneD 134671 Specdb::NmrOneD 134672 Specdb::NmrOneD 134673 Specdb::NmrOneD 134674 Specdb::NmrOneD 134675 Specdb::NmrOneD 134676 Specdb::NmrOneD 134677 HMDB36252 #<Reference:0x000055ce32749b58> Fats and oils Unknown generic