1.0 2010-04-08 22:10:37 UTC 2019-11-26 03:08:16 UTC FDB013285 Notoginsenoside Fc Constituent of leaves of Panax notoginseng (ginseng). Notoginsenoside Fc is found in tea. Notoginsenoside Fc C58H98O26 1211.3831 1210.634633308 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-trihydroxyoxan-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-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 88122-52-5 CC(C)=CCCC(C)(OC1OC(COC2OCC(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/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-77-49-44(72)36(64)27(62)21-75-49)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)38(66)29(19-59)78-52)83-53-48(43(71)39(67)30(20-60)79-53)82-50-45(73)37(65)28(63)22-76-50/h10,25-53,59-74H,9,11-23H2,1-8H3 XBGLCVZQMWKHFC-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 -0.73 ALOGPS logs -2.81 ALOGPS solubility 1.86e+00 g/l ALOGPS melting_point Mp 219-223° logp -2.1 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-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 1211.3831 ChemAxon mono_mass 1210.634633308 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(COC2OCC(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 C58H98O26 ChemAxon inchi InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-77-49-44(72)36(64)27(62)21-75-49)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)38(66)29(19-59)78-52)83-53-48(43(71)39(67)30(20-60)79-53)82-50-45(73)37(65)28(63)22-76-50/h10,25-53,59-74H,9,11-23H2,1-8H3 ChemAxon inchikey XBGLCVZQMWKHFC-UHFFFAOYSA-N ChemAxon polar_surface_area 415.98 ChemAxon refractivity 287.38 ChemAxon polarizability 128.18 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 26 ChemAxon donor_count 16 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10637 Specdb::MsMs 10638 Specdb::MsMs 10639 Specdb::MsMs 11681 Specdb::MsMs 11682 Specdb::MsMs 11683 Specdb::MsMs 17309 Specdb::MsMs 17310 Specdb::MsMs 17311 Specdb::MsMs 18353 Specdb::MsMs 18354 Specdb::MsMs 18355 Specdb::MsMs 2777876 Specdb::MsMs 2777877 Specdb::MsMs 2777878 Specdb::MsMs 2901474 Specdb::MsMs 2901475 Specdb::MsMs 2901476 Specdb::NmrOneD 127458 Specdb::NmrOneD 127459 Specdb::NmrOneD 127460 Specdb::NmrOneD 127461 Specdb::NmrOneD 127462 Specdb::NmrOneD 127463 Specdb::NmrOneD 127464 Specdb::NmrOneD 127465 Specdb::NmrOneD 127466 Specdb::NmrOneD 127467 Specdb::NmrOneD 127468 Specdb::NmrOneD 127469 Specdb::NmrOneD 127470 Specdb::NmrOneD 127471 Specdb::NmrOneD 127472 Specdb::NmrOneD 127473 Specdb::NmrOneD 127474 Specdb::NmrOneD 127475 Specdb::NmrOneD 127476 Specdb::NmrOneD 127477 HMDB34741 #<Reference:0x000055ce32d0e2c8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442