1.0 2010-04-08 22:14:07 UTC 2019-11-26 03:17:04 UTC FDB019078 Capsianoside H Constituent of Capsicum annuum. Capsianoside H is found in many foods, some of which are red bell pepper, yellow bell pepper, orange bell pepper, and green bell pepper. Capsianoside H Capsianside H C70H114O28 1403.6374 1402.749663064 (2R,3R,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-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}-3,5-dihydroxy-6-methyloxan-4-yl (2E,4R,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate (2R,3R,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-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}-3,5-dihydroxy-6-methyloxan-4-yl (2E,4R,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate C[C@@H]1O[C@@H](OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(=O)C(\C)=C\[C@H](O)C\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C70H114O28/c1-13-69(11,97-67-57(83)53(79)50(76)45(32-71)92-67)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)62(49(75)43(10)90-64)96-66-56(82)55(81)52(78)47(94-66)35-89-65-59(85)61(48(74)42(9)91-65)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-68-58(84)54(80)51(77)46(33-72)93-68/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+/t42-,43-,44+,45+,46+,47+,48-,49-,50+,51+,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69+,70+/m0/s1 CTMGCBZTYRLGIU-QNTFIYGOSA-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 Carbonyl compounds Diterpenoids Enoate esters Fatty acid esters Hydrocarbon derivatives Long-chain fatty alcohols Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpene glycoside Diterpenoid Enoate ester Fatty acid ester Fatty acyl Fatty acyl glycoside Fatty alcohol Glycosyl compound Hydrocarbon derivative Long chain fatty alcohol Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 2.35 ALOGPS logs -4.33 ALOGPS solubility 6.60e-02 g/l ALOGPS logp 2.75 ChemAxon pka_strongest_acidic 11.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3R,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-6-{[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-{[(2Z,6E,10E,14S)-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-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}-3,5-dihydroxy-6-methyloxan-4-yl (2E,4R,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraenoate ChemAxon average_mass 1403.6374 ChemAxon mono_mass 1402.749663064 ChemAxon smiles C[C@@H]1O[C@@H](OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(=O)C(\C)=C\[C@H](O)C\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C70H114O28 ChemAxon inchi InChI=1S/C70H114O28/c1-13-69(11,97-67-57(83)53(79)50(76)45(32-71)92-67)28-18-26-37(4)21-15-20-36(3)23-17-25-40(7)34-88-64-60(86)62(49(75)43(10)90-64)96-66-56(82)55(81)52(78)47(94-66)35-89-65-59(85)61(48(74)42(9)91-65)95-63(87)41(8)31-44(73)30-39(6)24-16-22-38(5)27-19-29-70(12,14-2)98-68-58(84)54(80)51(77)46(33-72)93-68/h13-14,20,24-27,31,42-62,64-68,71-86H,1-2,15-19,21-23,28-30,32-35H2,3-12H3/b36-20+,37-26+,38-27+,39-24+,40-25-,41-31+/t42-,43-,44+,45+,46+,47+,48-,49-,50+,51+,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69+,70+/m0/s1 ChemAxon inchikey CTMGCBZTYRLGIU-QNTFIYGOSA-N ChemAxon polar_surface_area 442.28 ChemAxon refractivity 356.12 ChemAxon polarizability 150.87 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 27 ChemAxon donor_count 16 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89391 Specdb::MsMs 89392 Specdb::MsMs 89393 Specdb::MsMs 152313 Specdb::MsMs 152314 Specdb::MsMs 152315 HMDB39474 #<Reference:0x000055ce33224618> 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