About [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate (PubChem CID 162989355) has the molecular formula C57H82O25
and a molecular weight of 1167.26 g/mol. Its IUPAC name is [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate.
Analyze [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate?
The IUPAC name of [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate (CID 162989355) is [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate.
What is the SMILES notation for [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate?
The canonical SMILES for [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate is COC(C(=O)C(O)C(C)C)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1.
What is the InChIKey of [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate?
The InChIKey is SEHJCSHYRCBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H82O25/c1-22(2)46(62)51(67)54(70-12)33-15-31-13-30-14-32(78-40-20-38(76-28(8)58)53(26(6)74-40)81-39-17-35(61)52(69-11)25(5)73-39)16-34(60)44(30)49(65)45(31)50(66)55(33)82-42-19-36(47(63)24(4)72-42)79-41-18-37(48(64)23(3)71-41)80-43-21-57(10,68)56(27(7)75-43)77-29(9)59/h13-14,16,22-27,33,35-43,46-48,52-56,60-65,68H,15,17-21H2,1-12H3.
What are the key properties of [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate?
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate has a molecular weight of 1167.26 g/mol, XLogP of 2.51, 18 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-7-(3-hydroxy-1-methoxy-4-methyl-2-oxopentyl)-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-4-yl] acetate is sourced from PubChem (CID 162989355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).