1.0 2010-04-08 22:10:06 UTC 2025-11-18 23:35:39 UTC FDB012311 Protodioscin From Asparagus officinalis (asparagus) Protodioscin is a steroidal saponin compound found in a number of plant species, most notably in the Tribulus, Trigonella and Dioscorea families. It is best known as the putative active component of the herbal aphrodisiac plant Tribulus terrestris. NSC 698796 Protodioscin Saponin C? C51H84O22 1049.1995 1048.545424372 2-[(4-hydroxy-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)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(4-hydroxy-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)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 55056-80-9 CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3 LVTJOONKWUXEFR-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 -0.22 ALOGPS logs -3.07 ALOGPS solubility 8.96e-01 g/l ALOGPS melting_point Mp 190-192 dec. (188-190° dec) logp -1.2 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(4-hydroxy-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)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 1049.1995 ChemAxon mono_mass 1048.545424372 ChemAxon smiles CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C51H84O22 ChemAxon inchi InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3 ChemAxon inchikey LVTJOONKWUXEFR-UHFFFAOYSA-N ChemAxon polar_surface_area 346.06 ChemAxon refractivity 250.34 ChemAxon polarizability 114.2 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 22 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8567 Specdb::MsMs 8568 Specdb::MsMs 8569 Specdb::MsMs 15239 Specdb::MsMs 15240 Specdb::MsMs 15241 Specdb::MsMs 3038234 Specdb::MsMs 3038235 Specdb::MsMs 3038236 Specdb::MsMs 3106082 Specdb::MsMs 3106083 Specdb::MsMs 3106084 Specdb::NmrOneD 124218 Specdb::NmrOneD 124219 Specdb::NmrOneD 124220 Specdb::NmrOneD 124221 Specdb::NmrOneD 124222 Specdb::NmrOneD 124223 Specdb::NmrOneD 124224 Specdb::NmrOneD 124225 Specdb::NmrOneD 124226 Specdb::NmrOneD 124227 Specdb::NmrOneD 124228 Specdb::NmrOneD 124229 Specdb::NmrOneD 124230 Specdb::NmrOneD 124231 Specdb::NmrOneD 124232 Specdb::NmrOneD 124233 Specdb::NmrOneD 124234 Specdb::NmrOneD 124235 Specdb::NmrOneD 124236 Specdb::NmrOneD 124237 HMDB0034062 Asparagus Type 1 specific Asparagus officinalis 4686 Common beet Type 1 specific Beta vulgaris 161934 Green vegetables Unknown generic