1.0 2010-04-08 22:12:58 UTC 2025-11-19 01:52:46 UTC FDB017231 Diosgenin 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] Isolated from Allium vineale (wild garlic). Diosgenin 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] is found in onion-family vegetables. (3b,25R)-Spirost-5-en-3-ol 3-[glucosyl-(1->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] (3b,25R)-Spirost-5-en-3-ol 3-O-[b-D-glucopyranosyl-(1->4)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->4)-[a-L-rhamnopyranosyl-(1->2)]-b-D-glucopyranoside] (3b,25R)-Spirost-5-en-3-ol 3-O-[b-D-glucosyl-(1->4)-[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->4)-[glucopyranosyl-(1->6)]-glucopyranosyl-(1->4)-rhamnosyl-(1->4)-[rhamnosyl-(1->2)]-glucoside] C63H102O31 1355.4654 1354.640506546 2-({6-[(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]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({6-[(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]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol 121372-77-8 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C63H102O31/c1-22-9-14-63(82-20-22)23(2)36-31(94-63)16-30-28-8-7-26-15-27(10-12-61(26,5)29(28)11-13-62(30,36)6)85-60-54(93-56-46(76)40(70)37(67)24(3)83-56)50(80)52(34(19-66)88-60)91-57-48(78)43(73)51(25(4)84-57)90-59-49(79)44(74)53(92-58-47(77)42(72)39(69)33(18-65)87-58)35(89-59)21-81-55-45(75)41(71)38(68)32(17-64)86-55/h7,22-25,27-60,64-80H,8-21H2,1-6H3 MVJHGXUJWDGPHK-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 -0.30 ALOGPS logs -2.46 ALOGPS solubility 4.65e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 11.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-({6-[(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]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 1355.4654 ChemAxon mono_mass 1354.640506546 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C63H102O31 ChemAxon inchi InChI=1S/C63H102O31/c1-22-9-14-63(82-20-22)23(2)36-31(94-63)16-30-28-8-7-26-15-27(10-12-61(26,5)29(28)11-13-62(30,36)6)85-60-54(93-56-46(76)40(70)37(67)24(3)83-56)50(80)52(34(19-66)88-60)91-57-48(78)43(73)51(25(4)84-57)90-59-49(79)44(74)53(92-58-47(77)42(72)39(69)33(18-65)87-58)35(89-59)21-81-55-45(75)41(71)38(68)32(17-64)86-55/h7,22-25,27-60,64-80H,8-21H2,1-6H3 ChemAxon inchikey MVJHGXUJWDGPHK-UHFFFAOYSA-N ChemAxon polar_surface_area 473.13 ChemAxon refractivity 311.66 ChemAxon polarizability 140.53 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 31 ChemAxon donor_count 17 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 24462 Specdb::NmrOneD 24463 Specdb::NmrOneD 24464 Specdb::NmrOneD 24465 Specdb::NmrOneD 24466 Specdb::NmrOneD 24467 Specdb::NmrOneD 24468 Specdb::NmrOneD 24469 Specdb::NmrOneD 24470 Specdb::NmrOneD 24471 Specdb::NmrOneD 24472 Specdb::NmrOneD 24473 Specdb::NmrOneD 24474 Specdb::NmrOneD 24475 Specdb::NmrOneD 24476 Specdb::NmrOneD 24477 Specdb::NmrOneD 24478 Specdb::NmrOneD 24479 Specdb::NmrOneD 24480 Specdb::NmrOneD 24481 Specdb::MsMs 78351 Specdb::MsMs 78352 Specdb::MsMs 78353 Specdb::MsMs 138693 Specdb::MsMs 138694 Specdb::MsMs 138695 Specdb::MsMs 2746936 Specdb::MsMs 2746937 Specdb::MsMs 2746938 Specdb::MsMs 2932380 Specdb::MsMs 2932381 Specdb::MsMs 2932382 HMDB38022 #<Reference:0x000055ce32b4a1a8> 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