1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:45 UTC FDB000408 Geranyl apiosyl-glucoside Constituent of damask rose (Rosa damascena) and wine grapes (Vitis vinifera). Geranyl apiosyl-glucoside is found in many foods, some of which are green vegetables, alcoholic beverages, herbs and spices, and fruits. Acuminoside Geranyl apiosyl-glucoside C21H36O10 448.5045 448.230847372 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol 120163-17-9 CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7- RFFYIBOJHUSIGD-QPEQYQDCSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocyclic monoterpenoids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monocyclic monoterpenoid Monoterpenoid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Terpene glycoside Tertiary alcohol Tetrahydrofuran logp -0.01 ALOGPS logs -2.28 ALOGPS solubility 2.36e+00 g/l ALOGPS melting_point Mp 39-41° logp -0.54 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 448.5045 ChemAxon mono_mass 448.230847372 ChemAxon smiles CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C21H36O10 ChemAxon inchi InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7- ChemAxon inchikey RFFYIBOJHUSIGD-QPEQYQDCSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 110.27 ChemAxon polarizability 47.42 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13827 Specdb::CMs 41293 Specdb::CMs 156366 Specdb::CMs 172895 Specdb::CMs 280098 Specdb::NmrOneD 157630 Specdb::NmrOneD 157631 Specdb::NmrOneD 157632 Specdb::NmrOneD 157633 Specdb::NmrOneD 157634 Specdb::NmrOneD 157635 Specdb::NmrOneD 157636 Specdb::NmrOneD 157637 Specdb::NmrOneD 157638 Specdb::NmrOneD 157639 Specdb::NmrOneD 157640 Specdb::NmrOneD 157641 Specdb::NmrOneD 157642 Specdb::NmrOneD 157643 Specdb::NmrOneD 157644 Specdb::NmrOneD 157645 Specdb::NmrOneD 157646 Specdb::NmrOneD 157647 Specdb::NmrOneD 157648 Specdb::NmrOneD 157649 Specdb::MsMs 88641 Specdb::MsMs 88642 Specdb::MsMs 88643 Specdb::MsMs 151416 Specdb::MsMs 151417 Specdb::MsMs 151418 Specdb::MsMs 2844458 Specdb::MsMs 2844459 Specdb::MsMs 2844460 Specdb::MsMs 2861986 Specdb::MsMs 2861987 Specdb::MsMs 2861988 HMDB29347 #<Reference:0x000055ce3238b250> Alcoholic beverages Unknown generic Common grape Type 1 specific Vitis vinifera 29760 Fruits Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic