1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:17 UTC FDB015208 6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] Constituent of Cyclanthera pedata (achoccha). 6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] is found in fruits. 6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] 6,7-Didehydrofevicordin F 3-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] C41H60O17 824.9049 824.383050494 4,13-dihydroxy-1,6,11,15-tetramethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-14-[(4E)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-17-one 4,13-dihydroxy-1,6,11,15-tetramethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-14-[(4E)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-17-one 178062-90-3 CC1=C2C=CC3C4(C)CC(O)C(C(C)(O)C(O)\C=C\C(C)(C)O)C4(C)CC(=O)C3(C)C2=CC(O)=C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C41H60O17/c1-17-18-8-9-24-38(4)13-21(44)34(41(7,54)25(45)10-11-37(2,3)53)39(38,5)14-26(46)40(24,6)19(18)12-20(43)33(17)58-36-32(52)30(50)28(48)23(57-36)16-55-35-31(51)29(49)27(47)22(15-42)56-35/h8-12,21-25,27-32,34-36,42-45,47-54H,13-16H2,1-7H3/b11-10+ ASSSZPRIMUKILU-ZHACJKMWSA-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 Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 11-oxosteroids 16-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Ketones Naphthalenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Phenolic glycosides Polyols Primary alcohols Secondary alcohols Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid 11-oxosteroid 16-hydroxysteroid 2-hydroxysteroid 20-hydroxysteroid 25-hydroxysteroid Acetal Alcohol Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Carbonyl group Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketone Naphthalene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Phenanthrene Phenolic glycoside Polyol Primary alcohol Secondary alcohol Steroidal glycoside Tertiary alcohol logp 0.36 ALOGPS logs -3.02 ALOGPS solubility 7.86e-01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 4,13-dihydroxy-1,6,11,15-tetramethyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-14-[(4E)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-17-one ChemAxon average_mass 824.9049 ChemAxon mono_mass 824.383050494 ChemAxon smiles CC1=C2C=CC3C4(C)CC(O)C(C(C)(O)C(O)\C=C\C(C)(C)O)C4(C)CC(=O)C3(C)C2=CC(O)=C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C41H60O17 ChemAxon inchi InChI=1S/C41H60O17/c1-17-18-8-9-24-38(4)13-21(44)34(41(7,54)25(45)10-11-37(2,3)53)39(38,5)14-26(46)40(24,6)19(18)12-20(43)33(17)58-36-32(52)30(50)28(48)23(57-36)16-55-35-31(51)29(49)27(47)22(15-42)56-35/h8-12,21-25,27-32,34-36,42-45,47-54H,13-16H2,1-7H3/b11-10+ ChemAxon inchikey ASSSZPRIMUKILU-ZHACJKMWSA-N ChemAxon polar_surface_area 296.75 ChemAxon refractivity 204.64 ChemAxon polarizability 85.15 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 17 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61701 Specdb::MsMs 61702 Specdb::MsMs 61703 Specdb::MsMs 118278 Specdb::MsMs 118279 Specdb::MsMs 118280 Specdb::MsMs 2686875 Specdb::MsMs 2686876 Specdb::MsMs 2686877 Specdb::MsMs 2991620 Specdb::MsMs 2991621 Specdb::MsMs 2991622 Specdb::CMs 791448 Specdb::CMs 791449 Specdb::CMs 791450 Specdb::CMs 791451 Specdb::CMs 791452 Specdb::CMs 791453 Specdb::CMs 791454 Specdb::CMs 791455 Specdb::CMs 791456 Specdb::CMs 791457 Specdb::CMs 791458 Specdb::CMs 791459 Specdb::CMs 791460 HMDB36337 #<Reference:0x000055ce3273ba30> Fruits Unknown generic