1.0 2010-04-08 22:10:35 UTC 2019-11-26 03:08:07 UTC FDB013207 Cinncassiol D2 glucoside Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol D2 glucoside is found in herbs and spices. Cinncassiol D2 glucoside C26H42O11 530.6051 530.272712186 3,7,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,6,9,14-tetrol 3,7,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,6,9,14-tetrol CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C InChI=1S/C26H42O11/c1-11(9-35-20-17(30)16(29)15(28)13(8-27)36-20)12-7-14-21(2)10-25(33)23(12,4)26(14,34)19(37-25)18-22(3,31)5-6-24(18,21)32/h11-20,27-34H,5-10H2,1-4H3 UPEGWQJBOXUCSZ-UHFFFAOYSA-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 heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Hemiacetals Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol Tetrahydrofuran logp -1.10 ALOGPS logs -1.93 ALOGPS solubility 6.23e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 11.45 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,7,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,6,9,14-tetrol ChemAxon average_mass 530.6051 ChemAxon mono_mass 530.272712186 ChemAxon smiles CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C ChemAxon formula C26H42O11 ChemAxon inchi InChI=1S/C26H42O11/c1-11(9-35-20-17(30)16(29)15(28)13(8-27)36-20)12-7-14-21(2)10-25(33)23(12,4)26(14,34)19(37-25)18-22(3,31)5-6-24(18,21)32/h11-20,27-34H,5-10H2,1-4H3 ChemAxon inchikey UPEGWQJBOXUCSZ-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 125.3 ChemAxon polarizability 54.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60168 Specdb::MsMs 60169 Specdb::MsMs 60170 Specdb::MsMs 116463 Specdb::MsMs 116464 Specdb::MsMs 116465 Specdb::MsMs 2757315 Specdb::MsMs 2757316 Specdb::MsMs 2757317 Specdb::MsMs 2947833 Specdb::MsMs 2947834 Specdb::MsMs 2947835 Specdb::CMs 12197 Specdb::CMs 43992 Specdb::CMs 199567 Specdb::CMs 199569 Specdb::CMs 199571 Specdb::CMs 199573 Specdb::CMs 199575 Specdb::CMs 199577 Specdb::CMs 199579 Specdb::CMs 199581 Specdb::CMs 199583 Specdb::CMs 199585 Specdb::CMs 199587 Specdb::CMs 199589 Specdb::CMs 199591 Specdb::CMs 199593 Specdb::CMs 199595 Specdb::CMs 199597 Specdb::CMs 199599 Specdb::CMs 199601 Specdb::CMs 199603 Specdb::CMs 199605 Specdb::CMs 199607 Specdb::CMs 199609 Specdb::CMs 199611 Specdb::NmrOneD 127178 Specdb::NmrOneD 127179 Specdb::NmrOneD 127180 Specdb::NmrOneD 127181 Specdb::NmrOneD 127182 Specdb::NmrOneD 127183 Specdb::NmrOneD 127184 Specdb::NmrOneD 127185 Specdb::NmrOneD 127186 Specdb::NmrOneD 127187 Specdb::NmrOneD 127188 Specdb::NmrOneD 127189 Specdb::NmrOneD 127190 Specdb::NmrOneD 127191 Specdb::NmrOneD 127192 Specdb::NmrOneD 127193 Specdb::NmrOneD 127194 Specdb::NmrOneD 127195 Specdb::NmrOneD 127196 Specdb::NmrOneD 127197 HMDB34679 #<Reference:0x000055ce2f4e59f0> Herbs and Spices Unknown generic