1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:39 UTC FDB013580 Notoginsenoside Fa Constituent of leaves of Panax notoginseng (ginseng). Notoginsenoside Fa is found in tea. Notoginsenoside Fa pyrazine-2-carbohydrazide Pyrazinoic acid, hydrazide C59H100O27 1241.4091 1240.645197994 2-[(2-{5-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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 88100-04-3 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)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3 HERICYNRBVMDFO-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 Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Triterpenoid logp -0.89 ALOGPS logs -2.75 ALOGPS solubility 2.20e+00 g/l ALOGPS melting_point Mp 235-240° logp -2.7 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(2-{5-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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 1241.4091 ChemAxon mono_mass 1240.645197994 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)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C ChemAxon formula C59H100O27 ChemAxon inchi InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3 ChemAxon inchikey HERICYNRBVMDFO-UHFFFAOYSA-N ChemAxon polar_surface_area 436.21 ChemAxon refractivity 293.34 ChemAxon polarizability 130.93 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 27 ChemAxon donor_count 17 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11189 Specdb::MsMs 11190 Specdb::MsMs 11191 Specdb::MsMs 17861 Specdb::MsMs 17862 Specdb::MsMs 17863 Specdb::MsMs 2733831 Specdb::MsMs 2733832 Specdb::MsMs 2733833 Specdb::MsMs 2971629 Specdb::MsMs 2971630 Specdb::MsMs 2971631 Specdb::NmrOneD 128748 Specdb::NmrOneD 128749 Specdb::NmrOneD 128750 Specdb::NmrOneD 128751 Specdb::NmrOneD 128752 Specdb::NmrOneD 128753 Specdb::NmrOneD 128754 Specdb::NmrOneD 128755 Specdb::NmrOneD 128756 Specdb::NmrOneD 128757 Specdb::NmrOneD 128758 Specdb::NmrOneD 128759 Specdb::NmrOneD 128760 Specdb::NmrOneD 128761 Specdb::NmrOneD 128762 Specdb::NmrOneD 128763 Specdb::NmrOneD 128764 Specdb::NmrOneD 128765 Specdb::NmrOneD 128766 Specdb::NmrOneD 128767 HMDB34980 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442