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Altersolanol A

PubChem CID: 89644

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Compound Synonyms Altersolanol A, 22268-16-2, As-A 2, (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione, CHEBI:2615, NSC 173943, ZS3LU23BE3, DTXSID10891800, Stemphylin, 9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1R-(1alpha,2beta,3beta,4alpha))-, AC1L3IB0, AC1Q6I5J, NSC-173943, UNII-ZS3LU23BE3, CHEMBL512054, SCHEMBL2793105, DTXCID101031037, DTXSID701043575, BDBM50480485, HB3756, HY-125461, CS-0091695, NS00094875, Q27105737, (1R,2S,3R,4S)-1,2,3,4-Tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-9,10-anthracenedione, (1R-(1alpha,2beta,3beta,4alpha))-1,2,3,4-Tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-9,10-anthracenedione, 116948-40-4, 9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1R,2S,3R,4S)-, rel-(1R,2S,3R,4S)-1,2,3,4-Tetrahydro-1,2,3,4,5- pentahydroxy-7-methoxy-2-methyl-9,10-anthracenedione
Topological Polar Surface Area 145.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 613.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id P09619, P06213, P08581, P04626, P54760, P41279, P24941, P15056, O60285, P35916, Q02763, P35968, P31749, P00533, P53350, P36888, P08069, O00444, P12931, Q05397, O14965, Q96GD4, P24385, P68400, Q04206, n.a.
Iupac Name (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Prediction Hob 1.0
Xlogp -1.3
Molecular Formula C16H16O8
Prediction Swissadme 0.0
Inchi Key VSMBLBOUQJNJIL-JJXSEGSLSA-N
Fcsp3 0.375
Logs -2.579
Rotatable Bond Count 1.0
Logd 0.553
Compound Name Altersolanol A
Prediction Hob Swissadme 0.0
Exact Mass 336.085
Formal Charge 0.0
Monoisotopic Mass 336.085
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 336.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -1.1998352
Inchi InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
Smiles C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0