1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:15 UTC FDB015810 19-Hydroxycinnzeylanol 19-glucoside Constituent of Cinnamomum cassia (Chinese cinnamon) [CCD]. 19-Hydroxycinnzeylanol 19-glucoside is found in herbs and spices. 19-Hydroxycinnzeylanol 19-b-D-glucopyranoside 19-Hydroxycinnzeylanol 19-b-D-glucoside 19-Hydroxycinnzeylanol 19-glucoside Ryanodol; 3-Deoxy, 19-hydroxy, 19-O-b-D-glucopyranoside C26H42O13 562.6039 562.26254143 (1R,2R,3S,6S,7R,10R,11S,13R,14R)-3,7,10-trimethyl-11-(1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol (1R,2R,3S,6S,7R,10R,11S,13R,14R)-3,7,10-trimethyl-11-(1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol 73613-34-0 CC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(O)C[C@@]2(O)[C@@]3(C)CC4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C InChI=1S/C26H42O13/c1-11-5-6-22(33)19(3)9-24(35)20(4)21(32,10-23(19,34)26(20,36)25(22,39-24)17(11)31)12(2)8-37-18-16(30)15(29)14(28)13(7-27)38-18/h11-18,27-36H,5-10H2,1-4H3/t11-,12?,13+,14+,15-,16+,17+,18+,19-,20-,21-,22-,23+,24?,25+,26+/m0/s1 JDXUGCGESVBRHW-MFQYDCNLSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Diterpenoids Hemiacetals Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Diterpene glycoside Diterpenoid Glycosyl compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Ryanodane diterpenoid Secondary alcohol Tertiary alcohol Tetrahydrofuran solid logp -1.63 ALOGPS logs -1.19 ALOGPS solubility 3.60e+01 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 11.27 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2R,3S,6S,7R,10R,11S,13R,14R)-3,7,10-trimethyl-11-(1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol ChemAxon average_mass 562.6039 ChemAxon mono_mass 562.26254143 ChemAxon smiles CC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(O)C[C@@]2(O)[C@@]3(C)CC4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C ChemAxon formula C26H42O13 ChemAxon inchi InChI=1S/C26H42O13/c1-11-5-6-22(33)19(3)9-24(35)20(4)21(32,10-23(19,34)26(20,36)25(22,39-24)17(11)31)12(2)8-37-18-16(30)15(29)14(28)13(7-27)38-18/h11-18,27-36H,5-10H2,1-4H3/t11-,12?,13+,14+,15-,16+,17+,18+,19-,20-,21-,22-,23+,24?,25+,26+/m0/s1 ChemAxon inchikey JDXUGCGESVBRHW-MFQYDCNLSA-N ChemAxon polar_surface_area 229.99 ChemAxon refractivity 127.75 ChemAxon polarizability 51.22 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61992 Specdb::MsMs 61993 Specdb::MsMs 61994 Specdb::MsMs 118641 Specdb::MsMs 118642 Specdb::MsMs 118643 HMDB36856 #<Reference:0x000055ce3321e3a8> Herbs and Spices Unknown generic