1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:08:00 UTC FDB013116 Hebevinoside X Toxic constituent of the toxic mushroom Hebeloma vinosophyllum. Hebevinoside X is found in mushrooms. Hebevinoside X C42H70O12 766.998 766.486727704 2-(hydroxymethyl)-6-{[9-methoxy-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}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[9-methoxy-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}oxane-3,4,5-triol 101365-12-2 COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(CO)C(O)C(O)C1O InChI=1S/C42H70O12/c1-21(2)11-10-12-22(3)30-27(52-38-35(49)33(47)32(46)28(19-43)53-38)18-42(8)36-26(50-9)17-24-23(40(36,6)15-16-41(30,42)7)13-14-29(39(24,4)5)54-37-34(48)31(45)25(44)20-51-37/h11,17,22-23,25-38,43-49H,10,12-16,18-20H2,1-9H3 RVSNXISMZROFAY-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 Acetals Cucurbitacins Delta-5-steroids Dialkyl ethers Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin glycoside skeleton Cucurbitacin skeleton Delta-5-steroid Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 3.00 ALOGPS logs -4.41 ALOGPS solubility 2.98e-02 g/l ALOGPS logp 3.02 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[9-methoxy-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}oxane-3,4,5-triol ChemAxon average_mass 766.998 ChemAxon mono_mass 766.486727704 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(CC3(C)C12)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C42H70O12 ChemAxon inchi InChI=1S/C42H70O12/c1-21(2)11-10-12-22(3)30-27(52-38-35(49)33(47)32(46)28(19-43)53-38)18-42(8)36-26(50-9)17-24-23(40(36,6)15-16-41(30,42)7)13-14-29(39(24,4)5)54-37-34(48)31(45)25(44)20-51-37/h11,17,22-23,25-38,43-49H,10,12-16,18-20H2,1-9H3 ChemAxon inchikey RVSNXISMZROFAY-UHFFFAOYSA-N ChemAxon polar_surface_area 187.76 ChemAxon refractivity 201.46 ChemAxon polarizability 85.8 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 782279 Specdb::CMs 782280 Specdb::CMs 782281 Specdb::CMs 782282 Specdb::CMs 782283 Specdb::CMs 782284 Specdb::CMs 782285 Specdb::CMs 782286 Specdb::CMs 782287 Specdb::CMs 782288 Specdb::CMs 782289 Specdb::CMs 782290 Specdb::CMs 782291 Specdb::CMs 782292 Specdb::MsMs 88101 Specdb::MsMs 88102 Specdb::MsMs 88103 Specdb::MsMs 150765 Specdb::MsMs 150766 Specdb::MsMs 150767 Specdb::MsMs 2768240 Specdb::MsMs 2768241 Specdb::MsMs 2768242 Specdb::MsMs 2913230 Specdb::MsMs 2913231 Specdb::MsMs 2913232 HMDB34600 #<Reference:0x000055ce3170f210> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322