1.0 2010-04-08 22:11:24 UTC 2019-11-26 03:10:36 UTC FDB014677 Ginsenoside Rb1 Constituent of Panax ginseng (ginseng). Ginsenoside Rb1 is found in tea. Ginsenoside Rb1 GRb 1 Gynosaponin C Gypenoside III Sanchinoside E1 Sanchinoside Rb1 C54H92O23 1109.2945 1108.60293925 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 41753-43-9 CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3 GZYPWOGIYAIIPV-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 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 Steroidal glycosides 12-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 Steroidal glycoside Triterpenoid a triterpenoid logp -0.24 ALOGPS logs -3.02 ALOGPS solubility 1.07e+00 g/l ALOGPS melting_point Mp 197-198° logp -1.6 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 1109.2945 ChemAxon mono_mass 1108.60293925 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C ChemAxon formula C54H92O23 ChemAxon inchi InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3 ChemAxon inchikey GZYPWOGIYAIIPV-UHFFFAOYSA-N ChemAxon polar_surface_area 377.29 ChemAxon refractivity 266.89 ChemAxon polarizability 119.44 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 23 ChemAxon donor_count 15 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132918 Specdb::NmrOneD 132919 Specdb::NmrOneD 132920 Specdb::NmrOneD 132921 Specdb::NmrOneD 132922 Specdb::NmrOneD 132923 Specdb::NmrOneD 132924 Specdb::NmrOneD 132925 Specdb::NmrOneD 132926 Specdb::NmrOneD 132927 Specdb::NmrOneD 132928 Specdb::NmrOneD 132929 Specdb::NmrOneD 132930 Specdb::NmrOneD 132931 Specdb::NmrOneD 132932 Specdb::NmrOneD 132933 Specdb::NmrOneD 132934 Specdb::NmrOneD 132935 Specdb::NmrOneD 132936 Specdb::NmrOneD 132937 Specdb::MsMs 9038 Specdb::MsMs 9039 Specdb::MsMs 9040 Specdb::MsMs 12548 Specdb::MsMs 12549 Specdb::MsMs 12550 Specdb::MsMs 15710 Specdb::MsMs 15711 Specdb::MsMs 15712 Specdb::MsMs 19220 Specdb::MsMs 19221 Specdb::MsMs 19222 Specdb::MsMs 2231728 Specdb::MsMs 2232437 Specdb::MsMs 2238540 Specdb::MsMs 2239055 Specdb::MsMs 2240501 Specdb::MsMs 2241187 Specdb::MsMs 2242564 Specdb::MsMs 2243297 Specdb::MsMs 2253555 Specdb::MsMs 2255032 Specdb::MsMs 2256968 Specdb::MsMs 2257635 Specdb::MsMs 2258913 HMDB35892 #<Reference:0x000055ce31a66c60> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442