1.0 2010-04-08 22:09:28 UTC 2025-11-18 23:24:37 UTC FDB011110 Epijasminoside A Constituent of Saffron (Crocus sativus). Epijasminoside A C16H26O7 330.3734 330.167853186 3,5,5-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one 3,5,5-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one 189148-81-0 CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3 FOONTNRMWNJWCL-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Cyclohexenones Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.57 ALOGPS logs -1.56 ALOGPS solubility 9.09e+00 g/l ALOGPS logp -0.53 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,5-trimethyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one ChemAxon average_mass 330.3734 ChemAxon mono_mass 330.167853186 ChemAxon smiles CC1=CC(=O)CC(C)(C)C1COC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H26O7 ChemAxon inchi InChI=1S/C16H26O7/c1-8-4-9(18)5-16(2,3)10(8)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4,10-15,17,19-21H,5-7H2,1-3H3 ChemAxon inchikey FOONTNRMWNJWCL-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 81.46 ChemAxon polarizability 34.4 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15070 Specdb::CMs 43107 Specdb::CMs 134772 Specdb::CMs 142506 Specdb::MsMs 66501 Specdb::MsMs 66502 Specdb::MsMs 66503 Specdb::MsMs 124089 Specdb::MsMs 124090 Specdb::MsMs 124091 Specdb::MsMs 2676418 Specdb::MsMs 2676419 Specdb::MsMs 2676420 Specdb::MsMs 3029426 Specdb::MsMs 3029427 Specdb::MsMs 3029428 Specdb::NmrOneD 118038 Specdb::NmrOneD 118039 Specdb::NmrOneD 118040 Specdb::NmrOneD 118041 Specdb::NmrOneD 118042 Specdb::NmrOneD 118043 Specdb::NmrOneD 118044 Specdb::NmrOneD 118045 Specdb::NmrOneD 118046 Specdb::NmrOneD 118047 Specdb::NmrOneD 118048 Specdb::NmrOneD 118049 Specdb::NmrOneD 118050 Specdb::NmrOneD 118051 Specdb::NmrOneD 118052 Specdb::NmrOneD 118053 Specdb::NmrOneD 118054 Specdb::NmrOneD 118055 Specdb::NmrOneD 118056 Specdb::NmrOneD 118057 HMDB33111 #<Reference:0x00007f091821aae8>