1.0 2010-04-08 22:05:41 UTC 2019-11-26 02:58:35 UTC FDB003179 Acutoside B Constituent of Chinese okra (Luffa acutangula). Acutoside B is found in green vegetables. Acutoside B C58H94O25 1191.352 1190.608418558 3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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 135545-77-6 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(O)C1O InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3 SNUYYOZIHXZPOM-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 1.00 ALOGPS logs -3.18 ALOGPS solubility 7.79e-01 g/l ALOGPS melting_point Mp 225-250° dec. logp -0.45 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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 1191.352 ChemAxon mono_mass 1190.608418558 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(O)C1O ChemAxon formula C58H94O25 ChemAxon inchi InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3 ChemAxon inchikey SNUYYOZIHXZPOM-UHFFFAOYSA-N ChemAxon polar_surface_area 392.59 ChemAxon refractivity 282.24 ChemAxon polarizability 123.96 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 24 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 110798 Specdb::NmrOneD 110799 Specdb::NmrOneD 110800 Specdb::NmrOneD 110801 Specdb::NmrOneD 110802 Specdb::NmrOneD 110803 Specdb::NmrOneD 110804 Specdb::NmrOneD 110805 Specdb::NmrOneD 110806 Specdb::NmrOneD 110807 Specdb::NmrOneD 110808 Specdb::NmrOneD 110809 Specdb::NmrOneD 110810 Specdb::NmrOneD 110811 Specdb::NmrOneD 110812 Specdb::NmrOneD 110813 Specdb::NmrOneD 110814 Specdb::NmrOneD 110815 Specdb::NmrOneD 110816 Specdb::NmrOneD 110817 Specdb::MsMs 47661 Specdb::MsMs 47662 Specdb::MsMs 47663 Specdb::MsMs 173502 Specdb::MsMs 173503 Specdb::MsMs 173504 Specdb::MsMs 2702433 Specdb::MsMs 2702434 Specdb::MsMs 2702435 Specdb::MsMs 3006917 Specdb::MsMs 3006918 Specdb::MsMs 3006919 HMDB31164 #<Reference:0x000055ce31d8e0a0> Green vegetables Unknown generic