1.0 2010-04-08 22:14:15 UTC 2019-11-26 03:17:21 UTC FDB019276 Ginsenoside La Isolated from ginseng. Ginsenoside La is found in tea. 15alpha-Hydroxycimicidol-3-O-beta-xyloside Ginsenoside La Ginsenoside-la C42H70O13 782.9974 782.481642326 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan-17-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan-17-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 123617-34-5 CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)O1 InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3 HXXZFHABSSZFHB-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 Acetals Dialkyl ethers Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 2.05 ALOGPS logs -4.06 ALOGPS solubility 6.77e-02 g/l ALOGPS melting_point Mp 179-180° logp 1.85 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[1,2,6,6,10,17-hexamethyl-15-(2-methylprop-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14-oxapentacyclo[11.7.1.0²,¹¹.0⁵,¹⁰.0¹⁸,²¹]henicosan-17-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 782.9974 ChemAxon mono_mass 782.481642326 ChemAxon smiles CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)O1 ChemAxon formula C42H70O13 ChemAxon inchi InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3 ChemAxon inchikey HXXZFHABSSZFHB-UHFFFAOYSA-N ChemAxon polar_surface_area 207.99 ChemAxon refractivity 200.02 ChemAxon polarizability 87.32 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 785363 Specdb::CMs 785364 Specdb::CMs 785365 Specdb::CMs 785366 Specdb::CMs 785367 Specdb::CMs 785368 Specdb::CMs 785369 Specdb::CMs 785370 Specdb::CMs 785371 Specdb::CMs 785372 Specdb::CMs 785373 Specdb::CMs 785374 Specdb::CMs 785375 Specdb::CMs 785376 Specdb::CMs 785377 Specdb::CMs 785378 Specdb::MsMs 96249 Specdb::MsMs 96250 Specdb::MsMs 96251 Specdb::MsMs 160698 Specdb::MsMs 160699 Specdb::MsMs 160700 Specdb::MsMs 2350492 Specdb::MsMs 2350493 Specdb::MsMs 2350494 Specdb::MsMs 2588323 Specdb::MsMs 2588324 Specdb::MsMs 2588325 HMDB39647 #<Reference:0x000055ce325ebec8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442