1.0 2010-04-08 22:11:02 UTC 2019-11-26 03:09:26 UTC FDB014020 (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside Constituent of Cyclanthera pedata (achoccha). (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside is found in fruits. (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] 6-O-b-D-xylopyranoside C47H80O19 949.1267 948.529380378 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}hept-5-en-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}hept-5-en-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 251101-57-2 CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3 CXXVAICRCFBOHJ-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids 17-hydroxysteroids 3-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols 12-hydroxysteroid 17-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Tertiary alcohol Triterpenoid logp -0.08 ALOGPS logs -2.60 ALOGPS solubility 2.39e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 11.86 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methyl-2-{5,14,16-trihydroxy-2,6,6,10,11-pentamethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}hept-5-en-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 949.1267 ChemAxon mono_mass 948.529380378 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1(O)CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OCC(O)C(O)C1O ChemAxon formula C47H80O19 ChemAxon inchi InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3 ChemAxon inchikey CXXVAICRCFBOHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 318.37 ChemAxon refractivity 231.46 ChemAxon polarizability 101.44 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 131038 Specdb::NmrOneD 131039 Specdb::NmrOneD 131040 Specdb::NmrOneD 131041 Specdb::NmrOneD 131042 Specdb::NmrOneD 131043 Specdb::NmrOneD 131044 Specdb::NmrOneD 131045 Specdb::NmrOneD 131046 Specdb::NmrOneD 131047 Specdb::NmrOneD 131048 Specdb::NmrOneD 131049 Specdb::NmrOneD 131050 Specdb::NmrOneD 131051 Specdb::NmrOneD 131052 Specdb::NmrOneD 131053 Specdb::NmrOneD 131054 Specdb::NmrOneD 131055 Specdb::NmrOneD 131056 Specdb::NmrOneD 131057 Specdb::MsMs 51615 Specdb::MsMs 51616 Specdb::MsMs 51617 Specdb::MsMs 112143 Specdb::MsMs 112144 Specdb::MsMs 112145 Specdb::MsMs 2301639 Specdb::MsMs 2301640 Specdb::MsMs 2301641 Specdb::MsMs 3063862 Specdb::MsMs 3063863 Specdb::MsMs 3063864 HMDB35348 #<Reference:0x000055ce31843870> Fruits Unknown generic