1.0 2010-04-08 22:15:35 UTC 2019-11-26 03:20:08 UTC FDB021274 Koryoginsenoside R1 Constituent of Panax ginseng (ginseng). Koryoginsenoside R1 is found in tea. Koryoginsenoside R1 C46H76O15 869.0866 868.518421762 (6-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-but-2-enoate (6-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-but-2-enoate 171674-97-8 C\C=C\C(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+ HMPXCABYJUUDEV-ZRDIBKRKSA-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 3-hydroxysteroids Acetals Alkyl glycosides Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Fatty acid esters Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Saccharolipids Secondary alcohols 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Enoate ester Fatty acid ester Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Saccharolipid Secondary alcohol Steroid Triterpenoid logp 2.56 ALOGPS logs -3.99 ALOGPS solubility 8.90e-02 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (6-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-but-2-enoate ChemAxon average_mass 869.0866 ChemAxon mono_mass 868.518421762 ChemAxon smiles C\C=C\C(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O ChemAxon formula C46H76O15 ChemAxon inchi InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+ ChemAxon inchikey HMPXCABYJUUDEV-ZRDIBKRKSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 223.13 ChemAxon polarizability 95.52 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 322258 Specdb::MsMs 322259 Specdb::MsMs 322260 Specdb::MsMs 370114 Specdb::MsMs 370115 Specdb::MsMs 370116 Specdb::MsMs 2395210 Specdb::MsMs 2395211 Specdb::MsMs 2395212 Specdb::MsMs 2540582 Specdb::MsMs 2540583 Specdb::MsMs 2540584 HMDB41351 #<Reference:0x000055ce304d1558> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442