1.0 2010-04-08 22:13:47 UTC 2019-11-26 03:16:18 UTC FDB018548 Notoginsenoside R10 Constituent of Panax notoginseng (sanchi) roots. Notoginsenoside R10 is found in tea. Notoginsenoside R10 C30H50O9 554.7126 554.345483198 1-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)ethan-1-one 1-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)ethanone 335157-20-5 CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3 MFXYPCMYAZAZDX-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 12-hydroxysteroids 20-oxosteroids 3-hydroxysteroids Acetals Cyclic alcohols and derivatives Diterpene glycosides Diterpenoids Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 20-oxosteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Diterpene glycoside Diterpenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Steroidal glycoside Terpene glycoside logp 0.71 ALOGPS logs -3.21 ALOGPS solubility 3.42e-01 g/l ALOGPS logp 0.64 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)ethan-1-one ChemAxon average_mass 554.7126 ChemAxon mono_mass 554.345483198 ChemAxon smiles CC(=O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C30H50O9 ChemAxon inchi InChI=1S/C30H50O9/c1-14(32)15-7-10-29(5)21(15)16(33)11-19-28(4)9-8-20(34)27(2,3)25(28)17(12-30(19,29)6)38-26-24(37)23(36)22(35)18(13-31)39-26/h15-26,31,33-37H,7-13H2,1-6H3 ChemAxon inchikey MFXYPCMYAZAZDX-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 141.85 ChemAxon polarizability 61.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25354 Specdb::CMs 46230 Specdb::CMs 281823 Specdb::CMs 339380 Specdb::CMs 339381 Specdb::CMs 339382 Specdb::CMs 339383 Specdb::CMs 339384 Specdb::CMs 339385 Specdb::CMs 339386 Specdb::CMs 339387 Specdb::CMs 339388 Specdb::CMs 339389 Specdb::CMs 339390 Specdb::CMs 339391 Specdb::CMs 339392 Specdb::CMs 339393 Specdb::CMs 339394 Specdb::CMs 339395 Specdb::CMs 339396 Specdb::CMs 339397 Specdb::CMs 339398 Specdb::CMs 339399 Specdb::CMs 339400 Specdb::CMs 339401 Specdb::MsMs 101355 Specdb::MsMs 101356 Specdb::MsMs 101357 Specdb::MsMs 166968 Specdb::MsMs 166969 Specdb::MsMs 166970 Specdb::MsMs 2401949 Specdb::MsMs 2401950 Specdb::MsMs 2401951 Specdb::MsMs 2533776 Specdb::MsMs 2533777 Specdb::MsMs 2533778 HMDB39051 #<Reference:0x000055ce31810240> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442