1.0 2010-04-08 22:15:11 UTC 2019-11-26 03:19:17 UTC FDB020675 Araloside G Constituent of Aralia elata (Japanese angelica tree). Araloside G is found in green vegetables. Araloside G C54H88O23 1105.2627 1104.571639122 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 144077-05-4 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3 MUJBUNJXXCRGGT-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Fatty acyl glycosides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpene saponin Triterpenoid logp 0.83 ALOGPS logs -3.08 ALOGPS solubility 9.28e-01 g/l ALOGPS logp -0.99 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-hydroxy-6-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 1105.2627 ChemAxon mono_mass 1104.571639122 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C54H88O23 ChemAxon inchi InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-40(67)37(64)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-41(68)43(76-45-39(66)36(63)33(60)26(20-56)71-45)42(28(22-58)73-47)75-44-38(65)35(62)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3 ChemAxon inchikey MUJBUNJXXCRGGT-UHFFFAOYSA-N ChemAxon polar_surface_area 374.13 ChemAxon refractivity 263.3 ChemAxon polarizability 118.41 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 323758 Specdb::MsMs 323759 Specdb::MsMs 323760 Specdb::MsMs 371998 Specdb::MsMs 371999 Specdb::MsMs 372000 Specdb::MsMs 2429500 Specdb::MsMs 2429501 Specdb::MsMs 2429502 Specdb::MsMs 2505782 Specdb::MsMs 2505783 Specdb::MsMs 2505784 Specdb::NmrOneD 43722 Specdb::NmrOneD 43723 Specdb::NmrOneD 43724 Specdb::NmrOneD 43725 Specdb::NmrOneD 43726 Specdb::NmrOneD 43727 Specdb::NmrOneD 43728 Specdb::NmrOneD 43729 Specdb::NmrOneD 43730 Specdb::NmrOneD 43731 Specdb::NmrOneD 43732 Specdb::NmrOneD 43733 Specdb::NmrOneD 43734 Specdb::NmrOneD 43735 Specdb::NmrOneD 43736 Specdb::NmrOneD 43737 Specdb::NmrOneD 43738 Specdb::NmrOneD 43739 Specdb::NmrOneD 43740 Specdb::NmrOneD 43741 HMDB40850 #<Reference:0x000055ce31977958> Green vegetables Unknown generic