1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:52 UTC FDB014883 Hebevinoside IV Toxic constituent of the toxic mushrrom Hebeloma vinosophyllum. Hebevinoside IV is found in mushrooms. 3beta,16beta-Dihydroxy-7beta-methoxycucurbita-5,24-diene-3-O-beta-D-xylopyranoside Hebevinoside IV C36H60O7 604.8574 604.433904274 2-{[13-hydroxy-9-methoxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol 2-{[13-hydroxy-9-methoxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol 101365-06-4 COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12 InChI=1S/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3 AKDNVAKNWZMAKY-UHFFFAOYSA-N belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Cucurbitacin glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 16-hydroxysteroids Acetals Cucurbitacins Cyclic alcohols and derivatives Delta-5-steroids Dialkyl ethers Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Pentoses Polyols Secondary alcohols Triterpenoids 16-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pentose monosaccharide Polyol Secondary alcohol Triterpenoid logp 4.59 ALOGPS logs -5.12 ALOGPS solubility 4.61e-03 g/l ALOGPS melting_point Mp 172-173° logp 4.79 ChemAxon pka_strongest_acidic 12.25 ChemAxon pka_strongest_basic -0.51 ChemAxon iupac 2-{[13-hydroxy-9-methoxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 604.8574 ChemAxon mono_mass 604.433904274 ChemAxon smiles COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(O)CC3(C)C12 ChemAxon formula C36H60O7 ChemAxon inchi InChI=1S/C36H60O7/c1-20(2)11-10-12-21(3)28-24(37)18-36(8)31-26(41-9)17-23-22(34(31,6)15-16-35(28,36)7)13-14-27(33(23,4)5)43-32-30(40)29(39)25(38)19-42-32/h11,17,21-22,24-32,37-40H,10,12-16,18-19H2,1-9H3 ChemAxon inchikey AKDNVAKNWZMAKY-UHFFFAOYSA-N ChemAxon polar_surface_area 108.61 ChemAxon refractivity 169.04 ChemAxon polarizability 70.35 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47193 Specdb::MsMs 47194 Specdb::MsMs 47195 Specdb::MsMs 137334 Specdb::MsMs 137335 Specdb::MsMs 137336 Specdb::MsMs 2335651 Specdb::MsMs 2335652 Specdb::MsMs 2335653 Specdb::MsMs 2627480 Specdb::MsMs 2627481 Specdb::MsMs 2627482 Specdb::CMs 22004 Specdb::CMs 44707 Specdb::CMs 475823 Specdb::CMs 475824 Specdb::CMs 475825 Specdb::CMs 475826 Specdb::CMs 475827 Specdb::CMs 475828 Specdb::CMs 475829 Specdb::CMs 475830 Specdb::CMs 475831 Specdb::CMs 475832 Specdb::CMs 475833 Specdb::CMs 475834 Specdb::CMs 475835 Specdb::CMs 475836 Specdb::CMs 475837 Specdb::CMs 475838 Specdb::CMs 475839 Specdb::CMs 475840 Specdb::CMs 475841 Specdb::CMs 475842 Specdb::CMs 475843 Specdb::CMs 475844 Specdb::CMs 475845 HMDB36060 #<Reference:0x000055ce32447838> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322