1.0 2010-04-08 22:05:41 UTC 2025-11-18 22:48:19 UTC FDB003180 Acutoside D Constituent of Chinese okra (Luffa acutangula). Acutoside D is found in green vegetables. Acutoside D C63H102O29 1323.4666 1322.650677302 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[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-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[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 135575-16-5 CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3 GGJRZIMZYBAXEM-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 0.63 ALOGPS logs -2.97 ALOGPS solubility 1.42e+00 g/l ALOGPS melting_point Mp 260-265° dec. logp -1.6 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[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 1323.4666 ChemAxon mono_mass 1322.650677302 ChemAxon smiles CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O ChemAxon formula C63H102O29 ChemAxon inchi InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3 ChemAxon inchikey GGJRZIMZYBAXEM-UHFFFAOYSA-N ChemAxon polar_surface_area 451.51 ChemAxon refractivity 308.69 ChemAxon polarizability 137.24 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 28 ChemAxon donor_count 16 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 110818 Specdb::NmrOneD 110819 Specdb::NmrOneD 110820 Specdb::NmrOneD 110821 Specdb::NmrOneD 110822 Specdb::NmrOneD 110823 Specdb::NmrOneD 110824 Specdb::NmrOneD 110825 Specdb::NmrOneD 110826 Specdb::NmrOneD 110827 Specdb::NmrOneD 110828 Specdb::NmrOneD 110829 Specdb::NmrOneD 110830 Specdb::NmrOneD 110831 Specdb::NmrOneD 110832 Specdb::NmrOneD 110833 Specdb::NmrOneD 110834 Specdb::NmrOneD 110835 Specdb::NmrOneD 110836 Specdb::NmrOneD 110837 Specdb::MsMs 98952 Specdb::MsMs 98953 Specdb::MsMs 98954 Specdb::MsMs 164004 Specdb::MsMs 164005 Specdb::MsMs 164006 Specdb::MsMs 2423323 Specdb::MsMs 2423324 Specdb::MsMs 2423325 Specdb::MsMs 2515027 Specdb::MsMs 2515028 Specdb::MsMs 2515029 HMDB0031165 Green vegetables Unknown generic