1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:07:59 UTC FDB013112 Hebevinoside VI Toxic constituent of the toxic mushroom Hebeloma vinosophyllum. Hebevinoside VI is found in mushrooms. 6-3-O-beta-D-Xylopyranoside-16-O-beta-D-glucopyranoside Hebevinoside VI C41H68O12 752.9714 752.47107764 2-{[9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 101365-08-6 CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3 MPXQWAXHGMPSTR-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 7-hydroxysteroids Acetals Cucurbitacins Delta-5-steroids Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 7-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Delta-5-steroid Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 2.33 ALOGPS logs -3.96 ALOGPS solubility 8.26e-02 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -0.61 ChemAxon iupac 2-{[9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 752.9714 ChemAxon mono_mass 752.47107764 ChemAxon smiles CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C41H68O12 ChemAxon inchi InChI=1S/C41H68O12/c1-20(2)10-9-11-21(3)29-26(51-37-34(49)32(47)31(46)27(18-42)52-37)17-41(8)35-24(43)16-23-22(39(35,6)14-15-40(29,41)7)12-13-28(38(23,4)5)53-36-33(48)30(45)25(44)19-50-36/h10,16,21-22,24-37,42-49H,9,11-15,17-19H2,1-8H3 ChemAxon inchikey MPXQWAXHGMPSTR-UHFFFAOYSA-N ChemAxon polar_surface_area 198.76 ChemAxon refractivity 196.71 ChemAxon polarizability 83.92 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 778187 Specdb::CMs 778188 Specdb::CMs 778189 Specdb::CMs 778190 Specdb::CMs 778191 Specdb::CMs 778192 Specdb::CMs 778193 Specdb::CMs 778194 Specdb::CMs 778195 Specdb::CMs 778196 Specdb::CMs 778197 Specdb::CMs 778198 Specdb::CMs 778199 Specdb::CMs 778200 Specdb::CMs 778201 Specdb::CMs 778202 Specdb::CMs 778203 Specdb::CMs 778204 Specdb::CMs 778205 Specdb::CMs 778206 Specdb::CMs 778207 Specdb::CMs 778208 Specdb::CMs 778209 Specdb::CMs 778210 Specdb::CMs 778211 Specdb::MsMs 55335 Specdb::MsMs 55336 Specdb::MsMs 55337 Specdb::MsMs 110466 Specdb::MsMs 110467 Specdb::MsMs 110468 Specdb::MsMs 2786626 Specdb::MsMs 2786627 Specdb::MsMs 2786628 Specdb::MsMs 2918576 Specdb::MsMs 2918577 Specdb::MsMs 2918578 HMDB34596 #<Reference:0x00007f093c19ae28> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322