1.0 2010-04-08 22:13:13 UTC 2019-11-26 03:14:59 UTC FDB017644 Balanitoside Constituent of the fruit of soapberry tree Balanites aegyptiaca. Balanitoside is found in fruits. Balanitoside C51H84O23 1065.1989 1064.540338994 2-({2-[(4,5-dihydroxy-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}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 2-({2-[(4,5-dihydroxy-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}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol 145854-02-0 CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)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)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 YGVBGPSWCYFEAW-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 -0.66 ALOGPS logs -2.99 ALOGPS solubility 1.08e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-({2-[(4,5-dihydroxy-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}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-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(CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C51H84O23 ChemAxon inchi InChI=1S/C51H84O23/c1-20(19-66-45-40(62)37(59)34(56)29(16-52)69-45)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)68-47-42(64)39(61)43(31(18-54)71-47)72-48-44(38(60)35(57)30(17-53)70-48)73-46-41(63)36(58)33(55)22(3)67-46/h6,20-22,24-48,52-65H,7-19H2,1-5H3 ChemAxon inchikey YGVBGPSWCYFEAW-UHFFFAOYSA-N ChemAxon polar_surface_area 366.29 ChemAxon refractivity 251.89 ChemAxon polarizability 111.27 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 23 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74979 Specdb::MsMs 74980 Specdb::MsMs 74981 Specdb::MsMs 134511 Specdb::MsMs 134512 Specdb::MsMs 134513 Specdb::MsMs 2326785 Specdb::MsMs 2326786 Specdb::MsMs 2326787 Specdb::MsMs 2611897 Specdb::MsMs 2611898 Specdb::MsMs 2611899 Specdb::NmrOneD 25622 Specdb::NmrOneD 25623 Specdb::NmrOneD 25624 Specdb::NmrOneD 25625 Specdb::NmrOneD 25626 Specdb::NmrOneD 25627 Specdb::NmrOneD 25628 Specdb::NmrOneD 25629 Specdb::NmrOneD 25630 Specdb::NmrOneD 25631 Specdb::NmrOneD 25632 Specdb::NmrOneD 25633 Specdb::NmrOneD 25634 Specdb::NmrOneD 25635 Specdb::NmrOneD 25636 Specdb::NmrOneD 25637 Specdb::NmrOneD 25638 Specdb::NmrOneD 25639 Specdb::NmrOneD 25640 Specdb::NmrOneD 25641 HMDB38312 #<Reference:0x000055ce32370a68> Fruits Unknown generic