1.0 2010-04-08 22:12:58 UTC 2025-11-19 01:52:46 UTC FDB017232 Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside] Isolated from Allium vineale (wild garlic). Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside] is found in onion-family vegetables. (3b,25R)-Spirost-5-en-3-ol 3-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranosyl-(1->4)-a-L-rhamnosyl-(1->4)[a-L-rhamnosyl-(1->2)]-b-D-glucoside] (3b,25R)-Spirost-5-en-3-ol 3-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->4)[a-L-rhamnopyranosyl-(1->2)]-b-D-glucopyranoside] Diosgenin 3-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranosyl-(1->4)-a-L-rhamnosyl-(1->4)[a-L-rhamnosyl-(1->2)]-b-D-glucoside] Diosgenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4)[rhamnosyl-(1->2)]-glucoside] C57H92O26 1193.3248 1192.587683116 2-[(4,5-dihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-2-methyloxan-3-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-[(4,5-dihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-2-methyloxan-3-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 121372-76-7 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3 RARXBXNBVUQZTI-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 Delta-5-steroids Hydrocarbon derivatives Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-5-steroid Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -0.06 ALOGPS logs -2.86 ALOGPS solubility 1.64e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(4,5-dihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-2-methyloxan-3-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 1193.3248 ChemAxon mono_mass 1192.587683116 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C57H92O26 ChemAxon inchi InChI=1S/C57H92O26/c1-21-9-14-57(73-19-21)22(2)34-30(83-57)16-29-27-8-7-25-15-26(10-12-55(25,5)28(27)11-13-56(29,34)6)76-54-49(82-51-43(68)38(63)35(60)23(3)74-51)46(71)48(32(18-59)78-54)81-52-45(70)41(66)47(24(4)75-52)80-53-44(69)40(65)37(62)33(79-53)20-72-50-42(67)39(64)36(61)31(17-58)77-50/h7,21-24,26-54,58-71H,8-20H2,1-6H3 ChemAxon inchikey RARXBXNBVUQZTI-UHFFFAOYSA-N ChemAxon polar_surface_area 393.98 ChemAxon refractivity 279.24 ChemAxon polarizability 125.99 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 26 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45717 Specdb::MsMs 45718 Specdb::MsMs 45719 Specdb::MsMs 113052 Specdb::MsMs 113053 Specdb::MsMs 113054 Specdb::MsMs 2281333 Specdb::MsMs 2281334 Specdb::MsMs 2281335 Specdb::MsMs 3083612 Specdb::MsMs 3083613 Specdb::MsMs 3083614 Specdb::NmrOneD 24482 Specdb::NmrOneD 24483 Specdb::NmrOneD 24484 Specdb::NmrOneD 24485 Specdb::NmrOneD 24486 Specdb::NmrOneD 24487 Specdb::NmrOneD 24488 Specdb::NmrOneD 24489 Specdb::NmrOneD 24490 Specdb::NmrOneD 24491 Specdb::NmrOneD 24492 Specdb::NmrOneD 24493 Specdb::NmrOneD 24494 Specdb::NmrOneD 24495 Specdb::NmrOneD 24496 Specdb::NmrOneD 24497 Specdb::NmrOneD 24498 Specdb::NmrOneD 24499 Specdb::NmrOneD 24500 Specdb::NmrOneD 24501 HMDB38023 #<Reference:0x000055ce315edbc0> 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