1.0 2010-04-08 22:08:09 UTC 2020-02-24 19:10:56 UTC FDB008577 Capsianoside II Constituent of fruits of Capsicum annuum. Capsianoside II is found in many foods, some of which are italian sweet red pepper, pepper (c. annuum), herbs and spices, and green bell pepper. Capsianoside II Capsianside II C50H84O25 1085.187 1084.530168238 2-({6-[(2-{[(2E,6Z,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 2-({6-[(2-{[(2E,6Z,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 121961-80-6 CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+ NFBYZSYLZUMCFV-CVVMOWQVSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Diterpenoids Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.38 ALOGPS logs -3.13 ALOGPS solubility 8.00e-01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-({6-[(2-{[(2E,6Z,10E)-14-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol ChemAxon average_mass 1085.187 ChemAxon mono_mass 1084.530168238 ChemAxon smiles CC1OC(OCC2OC(OC3C(O)C(C)OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C50H84O25 ChemAxon inchi InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12-,23-16+,24-15+ ChemAxon inchikey NFBYZSYLZUMCFV-CVVMOWQVSA-N ChemAxon polar_surface_area 395.75 ChemAxon refractivity 258.57 ChemAxon polarizability 112.27 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 25 ChemAxon donor_count 15 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 165989 Specdb::NmrOneD 165990 Specdb::NmrOneD 165991 Specdb::NmrOneD 165992 Specdb::NmrOneD 165993 Specdb::NmrOneD 165994 Specdb::NmrOneD 165995 Specdb::NmrOneD 165996 Specdb::NmrOneD 165997 Specdb::NmrOneD 165998 Specdb::NmrOneD 165999 Specdb::NmrOneD 166000 Specdb::NmrOneD 166001 Specdb::NmrOneD 166002 Specdb::NmrOneD 166003 Specdb::NmrOneD 166004 Specdb::NmrOneD 166005 Specdb::NmrOneD 166006 Specdb::NmrOneD 166007 Specdb::NmrOneD 166008 Specdb::MsMs 54363 Specdb::MsMs 54364 Specdb::MsMs 54365 Specdb::MsMs 155103 Specdb::MsMs 155104 Specdb::MsMs 155105 Specdb::MsMs 2749816 Specdb::MsMs 2749817 Specdb::MsMs 2749818 Specdb::MsMs 2928724 Specdb::MsMs 2928725 Specdb::MsMs 2928726 HMDB31892 #<Reference:0x000055ce321dfde8> Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 9.05 9.05 9.05 mg/100 g Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 9.05 9.05 9.05 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 9.05 9.05 9.05 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 9.05 9.05 9.05 mg/100 g Yellow bell pepper Type 1 specific Capsicum annuum 4072 9.05 9.05 9.05 mg/100 g