1.0 2010-04-08 22:11:19 UTC 2018-05-28 19:24:53 UTC FDB014532 Cascaroside D From cascara sagrada (Rhamnus purshiana) bark Cascaroside D C27H32O13 564.5352 564.18429111 1-hydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one 1-hydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10H-anthracen-9-one 53823-09-9 CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3 GQPFUOPPYJYZHE-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Anthracenes Aryl ketones C-glycosyl compounds Dialkyl ethers Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Anthracene Aromatic heteropolycyclic compound Aryl ketone Benzenoid C-glycosyl compound Dialkyl ether Ether Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.75 ALOGPS logs -2.02 ALOGPS solubility 5.45e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 9.99 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1-hydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one ChemAxon average_mass 564.5352 ChemAxon mono_mass 564.18429111 ChemAxon smiles CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O ChemAxon formula C27H32O13 ChemAxon inchi InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3 ChemAxon inchikey GQPFUOPPYJYZHE-UHFFFAOYSA-N ChemAxon polar_surface_area 226.83 ChemAxon refractivity 134.16 ChemAxon polarizability 55.26 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132578 Specdb::NmrOneD 132579 Specdb::NmrOneD 132580 Specdb::NmrOneD 132581 Specdb::NmrOneD 132582 Specdb::NmrOneD 132583 Specdb::NmrOneD 132584 Specdb::NmrOneD 132585 Specdb::NmrOneD 132586 Specdb::NmrOneD 132587 Specdb::NmrOneD 132588 Specdb::NmrOneD 132589 Specdb::NmrOneD 132590 Specdb::NmrOneD 132591 Specdb::NmrOneD 132592 Specdb::NmrOneD 132593 Specdb::NmrOneD 132594 Specdb::NmrOneD 132595 Specdb::NmrOneD 132596 Specdb::NmrOneD 132597 Specdb::CMs 25511 Specdb::CMs 44543 Specdb::CMs 282086 Specdb::CMs 356824 Specdb::CMs 356825 Specdb::CMs 356826 Specdb::CMs 356827 Specdb::CMs 356828 Specdb::CMs 356829 Specdb::CMs 356830 Specdb::CMs 356831 Specdb::CMs 356832 Specdb::CMs 356833 Specdb::CMs 356834 Specdb::CMs 356835 Specdb::CMs 356836 Specdb::CMs 356837 Specdb::CMs 356838 Specdb::CMs 356839 Specdb::CMs 356840 Specdb::CMs 356841 Specdb::CMs 356842 Specdb::CMs 356843 Specdb::CMs 356844 Specdb::CMs 356845 Specdb::MsMs 57603 Specdb::MsMs 57604 Specdb::MsMs 57605 Specdb::MsMs 113322 Specdb::MsMs 113323 Specdb::MsMs 113324 Specdb::MsMs 2391394 Specdb::MsMs 2391395 Specdb::MsMs 2391396 Specdb::MsMs 2570420 Specdb::MsMs 2570421 Specdb::MsMs 2570422 HMDB35757 #<Reference:0x000055ce31653dd0>