1.0 2010-04-08 22:11:19 UTC 2025-11-19 00:47:30 UTC FDB014533 Aloinoside B Isolated from leaves of Aloe cf. perryi Aloinoside B C27H32O13 564.5352 564.18429111 1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-9,10-dihydroanthracen-9-one 1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-10H-anthracen-9-one 11006-91-0 CC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3 BUPDVJFRVYWYEV-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Anthracenes Organic compounds Benzenoids Anthracenes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals 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 C-glycosyl compound Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous acid logp -0.76 ALOGPS logs -2.16 ALOGPS solubility 3.93e+00 g/l ALOGPS melting_point Mp 233° logp -0.31 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-9,10-dihydroanthracen-9-one ChemAxon average_mass 564.5352 ChemAxon mono_mass 564.18429111 ChemAxon smiles CC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H32O13 ChemAxon inchi InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3 ChemAxon inchikey BUPDVJFRVYWYEV-UHFFFAOYSA-N ChemAxon polar_surface_area 226.83 ChemAxon refractivity 134.66 ChemAxon polarizability 55.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12434 Specdb::MsMs 12435 Specdb::MsMs 12436 Specdb::MsMs 19106 Specdb::MsMs 19107 Specdb::MsMs 19108 Specdb::MsMs 2421027 Specdb::MsMs 2421028 Specdb::MsMs 2421029 Specdb::MsMs 2544598 Specdb::MsMs 2544599 Specdb::MsMs 2544600 Specdb::NmrOneD 132618 Specdb::NmrOneD 132619 Specdb::NmrOneD 132620 Specdb::NmrOneD 132621 Specdb::NmrOneD 132622 Specdb::NmrOneD 132623 Specdb::NmrOneD 132624 Specdb::NmrOneD 132625 Specdb::NmrOneD 132626 Specdb::NmrOneD 132627 Specdb::NmrOneD 132628 Specdb::NmrOneD 132629 Specdb::NmrOneD 132630 Specdb::NmrOneD 132631 Specdb::NmrOneD 132632 Specdb::NmrOneD 132633 Specdb::NmrOneD 132634 Specdb::NmrOneD 132635 Specdb::NmrOneD 132636 Specdb::NmrOneD 132637 Specdb::CMs 9655 Specdb::CMs 44561 Specdb::CMs 282087 Specdb::CMs 357123 Specdb::CMs 357124 Specdb::CMs 357125 Specdb::CMs 357126 Specdb::CMs 357127 Specdb::CMs 357128 Specdb::CMs 357129 Specdb::CMs 357130 Specdb::CMs 357131 Specdb::CMs 357132 Specdb::CMs 357133 Specdb::CMs 357134 Specdb::CMs 357135 Specdb::CMs 357136 Specdb::CMs 357137 Specdb::CMs 357138 Specdb::CMs 357139 Specdb::CMs 357140 Specdb::CMs 357141 Specdb::CMs 357142 Specdb::CMs 357143 Specdb::CMs 357144 HMDB0035784