1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:30 UTC FDB018690 Capsianoside VI Constituent of Capsicum annuum. Capsianoside VI is found in many foods, some of which are yellow bell pepper, green bell pepper, orange bell pepper, and herbs and spices. Capsianoside VI Capsianside VI C44H74O20 923.0464 922.477344808 2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol 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)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+ WZQKUYVRQLGXCB-PRMGPUFCSA-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 0.49 ALOGPS logs -3.37 ALOGPS solubility 3.98e-01 g/l ALOGPS logp -0.3 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-({6-[(3,5-dihydroxy-2-methyl-6-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-6-methyloxane-3,4,5-triol ChemAxon average_mass 923.0464 ChemAxon mono_mass 922.477344808 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)C4O)C=C)C3O)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C44H74O20 ChemAxon inchi InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+ ChemAxon inchikey WZQKUYVRQLGXCB-PRMGPUFCSA-N ChemAxon polar_surface_area 316.6 ChemAxon refractivity 226.15 ChemAxon polarizability 97.67 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81945 Specdb::MsMs 81946 Specdb::MsMs 81947 Specdb::MsMs 143181 Specdb::MsMs 143182 Specdb::MsMs 143183 Specdb::MsMs 2707259 Specdb::MsMs 2707260 Specdb::MsMs 2707261 Specdb::MsMs 2998514 Specdb::MsMs 2998515 Specdb::MsMs 2998516 Specdb::NmrOneD 31462 Specdb::NmrOneD 31463 Specdb::NmrOneD 31464 Specdb::NmrOneD 31465 Specdb::NmrOneD 31466 Specdb::NmrOneD 31467 Specdb::NmrOneD 31468 Specdb::NmrOneD 31469 Specdb::NmrOneD 31470 Specdb::NmrOneD 31471 Specdb::NmrOneD 31472 Specdb::NmrOneD 31473 Specdb::NmrOneD 31474 Specdb::NmrOneD 31475 Specdb::NmrOneD 31476 Specdb::NmrOneD 31477 Specdb::NmrOneD 31478 Specdb::NmrOneD 31479 Specdb::NmrOneD 31480 Specdb::NmrOneD 31481 HMDB39165 #<Reference:0x000055ce32c9e428> Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072