1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:45 UTC FDB014786 Hebevinoside V Toxic constituent of the toxic mushroom Hebeloma vinosophyllum. Hebevinoside V is found in mushrooms. 3beta,16beta-Dihydroxy-7beta-methoxycucurbita-5,24-diene-3-O-(4-O-acetyl)-beta-D-xylopyranoside-16-O-(6-O-acetyl)-beta-D-glucopyranoside Hebevinoside V C46H74O14 851.0714 850.507857076 {6-[(5-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-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-13-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate {6-[(5-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-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-13-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate 101365-07-5 COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-30(58-42-39(53)37(51)35(49)32(59-42)21-55-25(4)47)20-46(10)40-29(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-38(52)36(50)31(22-56-41)57-26(5)48/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3 AMBFYXVSRGPNHQ-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 Carbonyl compounds Carboxylic acid esters Cucurbitacins Delta-5-steroids Dialkyl ethers Dicarboxylic acids and derivatives Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cucurbitacin glycoside skeleton Cucurbitacin skeleton Delta-5-steroid Dialkyl ether Dicarboxylic acid or derivatives Ether Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Triterpenoid logp 4.34 ALOGPS logs -4.86 ALOGPS solubility 1.17e-02 g/l ALOGPS melting_point Mp 165-166° logp 3.9 ChemAxon pka_strongest_acidic 11.94 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {6-[(5-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-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-13-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate ChemAxon average_mass 851.0714 ChemAxon mono_mass 850.507857076 ChemAxon smiles COC1C=C2C(CCC(OC3OCC(OC(C)=O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(O)C(O)C1O ChemAxon formula C46H74O14 ChemAxon inchi InChI=1S/C46H74O14/c1-23(2)13-12-14-24(3)34-30(58-42-39(53)37(51)35(49)32(59-42)21-55-25(4)47)20-46(10)40-29(54-11)19-28-27(44(40,8)17-18-45(34,46)9)15-16-33(43(28,6)7)60-41-38(52)36(50)31(22-56-41)57-26(5)48/h13,19,24,27,29-42,49-53H,12,14-18,20-22H2,1-11H3 ChemAxon inchikey AMBFYXVSRGPNHQ-UHFFFAOYSA-N ChemAxon polar_surface_area 199.9 ChemAxon refractivity 219.76 ChemAxon polarizability 94.37 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 12 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7172 Specdb::MsMs 7173 Specdb::MsMs 7174 Specdb::MsMs 13844 Specdb::MsMs 13845 Specdb::MsMs 13846 Specdb::MsMs 2793254 Specdb::MsMs 2793255 Specdb::MsMs 2793256 Specdb::MsMs 2916494 Specdb::MsMs 2916495 Specdb::MsMs 2916496 HMDB35981 #<Reference:0x000055ce33485c90> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322