1.0 2010-04-08 22:10:06 UTC 2018-05-28 23:35:41 UTC FDB012299 Polypodoside A Constituent of rhizomes of the licorice fern (Polypodium glycyrrhiza). Intensely sweet substance. Polypodoside A C45H72O17 885.043 884.476950878 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,15-dimethyl-14-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,15-dimethyl-14-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one 119784-25-7 CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1 InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3 OFFJUHSISSNBNT-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 6-oxosteroids Acetals Cholestane steroids Cyclohexenones Delta-7-steroids Disaccharides Diterpene glycosides Diterpenoids Ecdysteroids Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 6-oxosteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cholestane-skeleton Cyclohexenone Delta-7-steroid Disaccharide Diterpene glycoside Diterpenoid Ecdysteroid Glycosyl compound Hydrocarbon derivative Ketone 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 0.26 ALOGPS logs -3.42 ALOGPS solubility 3.39e-01 g/l ALOGPS melting_point Mp 198-200° logp 1.35 ChemAxon pka_strongest_acidic 11.86 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,15-dimethyl-14-(1-{5-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}ethyl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-8-one ChemAxon average_mass 885.043 ChemAxon mono_mass 884.476950878 ChemAxon smiles CC(C1CCC2C3=CC(=O)C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)C(OC2OC(C)C(O)C(O)C2O)O1 ChemAxon formula C45H72O17 ChemAxon inchi InChI=1S/C45H72O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h16,18-22,24-27,29-43,46,48-55H,7-15,17H2,1-6H3 ChemAxon inchikey OFFJUHSISSNBNT-UHFFFAOYSA-N ChemAxon polar_surface_area 263.75 ChemAxon refractivity 216.43 ChemAxon polarizability 95.95 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 17 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11288 Specdb::MsMs 11289 Specdb::MsMs 11290 Specdb::MsMs 17960 Specdb::MsMs 17961 Specdb::MsMs 17962 Specdb::MsMs 2371501 Specdb::MsMs 2371502 Specdb::MsMs 2371503 Specdb::MsMs 2564181 Specdb::MsMs 2564182 Specdb::MsMs 2564183 HMDB34053 #<Reference:0x000055ce31e9d248>