1.0 2010-04-08 22:11:52 UTC 2025-11-19 00:55:26 UTC FDB015472 (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside] Constituent of Allium porrum (leeks). (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside] is found in onion-family vegetables. (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4'-(2''-glucosyl-3''-xylosyl)-galactoside] (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[b-D-glucosyl-(1->2)-[b-D-xylosyl-(1->3)]-b-D-glucosyl-(1->4)-b-D-galactoside] (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] (3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-xylopyranosyl-(1->3)]-b-D-glucopyranosyl-(1->4)-b-D-galactopyranoside] C50H78O25 1079.1393 1078.483218046 16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dione 16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dione 289690-77-3 CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(=O)CC5(C)C4CC(=O)C23C)OC11CCC(C)CO1 InChI=1S/C50H78O25/c1-17-5-6-50(67-15-17)18(2)32-27(75-50)8-21-19-7-23(54)22-9-26(24(55)11-48(22,3)20(19)10-31(57)49(21,32)4)68-45-40(65)37(62)41(30(14-53)71-45)72-47-43(74-46-39(64)36(61)34(59)28(12-51)69-46)42(35(60)29(13-52)70-47)73-44-38(63)33(58)25(56)16-66-44/h17-23,25-30,32-47,51-54,56,58-65H,5-16H2,1-4H3 WNOJNAYYPHOSGO-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 6-hydroxysteroids Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Ketals O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Oxosteroids Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 12-oxosteroid 2-oxosteroid 6-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal Ketone O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -1.06 ALOGPS logs -2.14 ALOGPS solubility 7.84e+00 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',15'-dione ChemAxon average_mass 1079.1393 ChemAxon mono_mass 1078.483218046 ChemAxon smiles CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(=O)CC5(C)C4CC(=O)C23C)OC11CCC(C)CO1 ChemAxon formula C50H78O25 ChemAxon inchi InChI=1S/C50H78O25/c1-17-5-6-50(67-15-17)18(2)32-27(75-50)8-21-19-7-23(54)22-9-26(24(55)11-48(22,3)20(19)10-31(57)49(21,32)4)68-45-40(65)37(62)41(30(14-53)71-45)72-47-43(74-46-39(64)36(61)34(59)28(12-51)69-46)42(35(60)29(13-52)70-47)73-44-38(63)33(58)25(56)16-66-44/h17-23,25-30,32-47,51-54,56,58-65H,5-16H2,1-4H3 ChemAxon inchikey WNOJNAYYPHOSGO-UHFFFAOYSA-N ChemAxon polar_surface_area 389.43 ChemAxon refractivity 245.86 ChemAxon polarizability 111.09 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 25 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60543 Specdb::MsMs 60544 Specdb::MsMs 60545 Specdb::MsMs 116886 Specdb::MsMs 116887 Specdb::MsMs 116888 Specdb::MsMs 2679526 Specdb::MsMs 2679527 Specdb::MsMs 2679528 Specdb::MsMs 3026280 Specdb::MsMs 3026281 Specdb::MsMs 3026282 Specdb::NmrOneD 136490 Specdb::NmrOneD 136491 Specdb::NmrOneD 136492 Specdb::NmrOneD 136493 Specdb::NmrOneD 136494 Specdb::NmrOneD 136495 Specdb::NmrOneD 136496 Specdb::NmrOneD 136497 Specdb::NmrOneD 136498 Specdb::NmrOneD 136499 Specdb::NmrOneD 136500 Specdb::NmrOneD 136501 Specdb::NmrOneD 136502 Specdb::NmrOneD 136503 Specdb::NmrOneD 136504 Specdb::NmrOneD 136505 Specdb::NmrOneD 136506 Specdb::NmrOneD 136507 Specdb::NmrOneD 136508 Specdb::NmrOneD 136509 HMDB36567 #<Reference:0x000055ce32f93408> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875