1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:07 UTC FDB015725 Diosbulbinoside F Isolated from Dioscorea bulbifera (air potato). Diosbulbinoside F is found in root vegetables. C26H34O12 538.541 538.205026552 methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4aH,5H,7H,8H,9H,10H,10aH-naphtho[2,1-c]pyran-7-carboxylate 66756-58-9 COC(=O)C1CC(O)CC2C1=C(CC1C(=O)OC(CC21C)C1=COC=C1)OC1OC(CO)C(O)C(O)C1O InChI=1S/C26H34O12/c1-26-8-17(11-3-4-35-10-11)36-24(33)15(26)7-16(19-13(23(32)34-2)5-12(28)6-14(19)26)37-25-22(31)21(30)20(29)18(9-27)38-25/h3-4,10,12-15,17-18,20-22,25,27-31H,5-9H2,1-2H3 SVXOFPLAAYAGIG-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aromatic heteropolycyclic compounds Acetals Carbonyl compounds Colensane and clerodane diterpenoids Cyclic alcohols and derivatives Delta valerolactones Dicarboxylic acids and derivatives Diterpene lactones Fatty acyl glycosides of mono- and disaccharides Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methyl esters Naphthalenes Naphthopyrans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Acetal Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Clerodane diterpenoid Cyclic alcohol Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Diterpene glycoside Diterpene lactone Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furan Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Methyl ester Monosaccharide Naphthalene Naphthopyran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol logp -0.48 ALOGPS logs -2.08 ALOGPS solubility 4.46e+00 g/l ALOGPS melting_point Mp 193-195° dec. logp -1.5 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate ChemAxon average_mass 538.541 ChemAxon mono_mass 538.205026552 ChemAxon smiles COC(=O)C1CC(O)CC2C1=C(CC1C(=O)OC(CC21C)C1=COC=C1)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C26H34O12 ChemAxon inchi InChI=1S/C26H34O12/c1-26-8-17(11-3-4-35-10-11)36-24(33)15(26)7-16(19-13(23(32)34-2)5-12(28)6-14(19)26)37-25-22(31)21(30)20(29)18(9-27)38-25/h3-4,10,12-15,17-18,20-22,25,27-31H,5-9H2,1-2H3 ChemAxon inchikey SVXOFPLAAYAGIG-UHFFFAOYSA-N ChemAxon polar_surface_area 185.35 ChemAxon refractivity 127.19 ChemAxon polarizability 53.02 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9455 Specdb::MsMs 9456 Specdb::MsMs 9457 Specdb::MsMs 16127 Specdb::MsMs 16128 Specdb::MsMs 16129 Specdb::MsMs 2348939 Specdb::MsMs 2348940 Specdb::MsMs 2348941 Specdb::MsMs 2586727 Specdb::MsMs 2586728 Specdb::MsMs 2586729 Specdb::CMs 15503 Specdb::CMs 259481 Specdb::CMs 259482 Specdb::CMs 259483 Specdb::CMs 259484 Specdb::CMs 259485 Specdb::CMs 259486 Specdb::CMs 259487 Specdb::CMs 259488 Specdb::CMs 259489 Specdb::CMs 259490 Specdb::CMs 259491 Specdb::CMs 259492 Specdb::CMs 259493 Specdb::CMs 259494 Specdb::CMs 259495 Specdb::CMs 259496 Specdb::CMs 259497 Specdb::CMs 259498 Specdb::CMs 259499 Specdb::CMs 259500 Specdb::CMs 259501 Specdb::CMs 259502 Specdb::CMs 259503 Specdb::CMs 259504 Specdb::NmrOneD 136910 Specdb::NmrOneD 136911 Specdb::NmrOneD 136912 Specdb::NmrOneD 136913 Specdb::NmrOneD 136914 Specdb::NmrOneD 136915 Specdb::NmrOneD 136916 Specdb::NmrOneD 136917 Specdb::NmrOneD 136918 Specdb::NmrOneD 136919 Specdb::NmrOneD 136920 Specdb::NmrOneD 136921 Specdb::NmrOneD 136922 Specdb::NmrOneD 136923 Specdb::NmrOneD 136924 Specdb::NmrOneD 136925 Specdb::NmrOneD 136926 Specdb::NmrOneD 136927 Specdb::NmrOneD 136928 Specdb::NmrOneD 136929 HMDB36783 #<Reference:0x000055ce30a0d8f0> Root vegetables Unknown generic