1.0 2010-04-08 22:12:19 UTC 2025-11-19 01:45:35 UTC FDB016228 Goyasaponin I Constituent of Momordica charantia (bitter melon). Goyasaponin I is found in fruits. Goyasaponin I C65H102O31 1379.4868 1378.640506546 6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 333333-20-3 CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83) ULHRDLGYAHWAGO-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 0.56 ALOGPS logs -2.88 ALOGPS solubility 1.82e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 3.31 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 1379.4868 ChemAxon mono_mass 1378.640506546 ChemAxon smiles CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C65H102O31 ChemAxon inchi InChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83) ChemAxon inchikey ULHRDLGYAHWAGO-UHFFFAOYSA-N ChemAxon polar_surface_area 485.65 ChemAxon refractivity 318.19 ChemAxon polarizability 143.02 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 30 ChemAxon donor_count 16 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 139630 Specdb::NmrOneD 139631 Specdb::NmrOneD 139632 Specdb::NmrOneD 139633 Specdb::NmrOneD 139634 Specdb::NmrOneD 139635 Specdb::NmrOneD 139636 Specdb::NmrOneD 139637 Specdb::NmrOneD 139638 Specdb::NmrOneD 139639 Specdb::NmrOneD 139640 Specdb::NmrOneD 139641 Specdb::NmrOneD 139642 Specdb::NmrOneD 139643 Specdb::NmrOneD 139644 Specdb::NmrOneD 139645 Specdb::NmrOneD 139646 Specdb::NmrOneD 139647 Specdb::NmrOneD 139648 Specdb::NmrOneD 139649 Specdb::MsMs 108135 Specdb::MsMs 108136 Specdb::MsMs 108137 Specdb::MsMs 175281 Specdb::MsMs 175282 Specdb::MsMs 175283 Specdb::MsMs 2446405 Specdb::MsMs 2446406 Specdb::MsMs 2446407 Specdb::MsMs 2516031 Specdb::MsMs 2516032 Specdb::MsMs 2516033 HMDB37221 #<Reference:0x000055ce31cf4ab8> Fruits Unknown generic