1.0 2010-04-08 22:14:28 UTC 2025-11-19 02:21:27 UTC FDB019604 Notoginsenoside L Constituent of roots of Panax notoginseng (ginseng). Notoginsenoside L is found in tea. Notoginsenoside L C53H90O22 1079.2685 1078.592374564 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-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-trihydroxyoxan-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 394246-58-3 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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-42(66)38(62)35(59)27(19-54)70-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-41(65)34(58)26(57)21-68-46/h10,24-48,54-67H,9,11-22H2,1-8H3 MGEVFIHLEFXNMC-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 logp -0.03 ALOGPS logs -3.15 ALOGPS solubility 7.62e-01 g/l ALOGPS melting_point Mp 195-197° logp -0.92 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-trihydroxyoxan-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 1079.2685 ChemAxon mono_mass 1078.592374564 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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C ChemAxon formula C53H90O22 ChemAxon inchi InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-42(66)38(62)35(59)27(19-54)70-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-41(65)34(58)26(57)21-68-46/h10,24-48,54-67H,9,11-22H2,1-8H3 ChemAxon inchikey MGEVFIHLEFXNMC-UHFFFAOYSA-N ChemAxon polar_surface_area 357.06 ChemAxon refractivity 260.93 ChemAxon polarizability 115.8 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 37102 Specdb::NmrOneD 37103 Specdb::NmrOneD 37104 Specdb::NmrOneD 37105 Specdb::NmrOneD 37106 Specdb::NmrOneD 37107 Specdb::NmrOneD 37108 Specdb::NmrOneD 37109 Specdb::NmrOneD 37110 Specdb::NmrOneD 37111 Specdb::NmrOneD 37112 Specdb::NmrOneD 37113 Specdb::NmrOneD 37114 Specdb::NmrOneD 37115 Specdb::NmrOneD 37116 Specdb::NmrOneD 37117 Specdb::NmrOneD 37118 Specdb::NmrOneD 37119 Specdb::NmrOneD 37120 Specdb::NmrOneD 37121 Specdb::MsMs 6518 Specdb::MsMs 6519 Specdb::MsMs 6520 Specdb::MsMs 13190 Specdb::MsMs 13191 Specdb::MsMs 13192 Specdb::MsMs 2798414 Specdb::MsMs 2798415 Specdb::MsMs 2798416 Specdb::MsMs 2883131 Specdb::MsMs 2883132 Specdb::MsMs 2883133 HMDB39942 #<Reference:0x000055ce328f61b8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442