(6aR, 11 aR) -3-hidroxi-9, l0-diMetoxipterocarpan-7-O-β-D-glucósido 94367-42-7 wiki

1.1 Nombre del producto: (6aR, 11 aR) -3-hidroxi-9, l0-diMetoxipterocarpan-7-O-β-D-glucósido

1.2 Sinónimos: (6aR, 11 aR)-3-hydroxy-9,l0-diMethoxy pterocarpan–7–O–β–D–glucoside;Methylnissolin-3-O-glucoside;(6aR,11aR)-9,10-Dimethoxypterocarpan 3-O-beta-D-glucoside;9-O-Methylnissolin 3-O-glucoside;9,10-Dimethoxyptercarpan-3-O-β-D-glucopyranoside;9,10-Dimethoxypterocarpan-3-O-b-D-glucopyranoside;(6aR,11aR)-9,10-dimethoxy pterocarpan-3-O-β-D-glucopyanoside;9,10-Dimethoxyptercarpan-3-O-β-D-glucoside

1.6 Inchi: InChI=1S/C23H26O10/c1-28-14-6-5-11-13-9-30-15-7-10(3-4-12(15)20(13)33-21(11)22(14)29-2)31-23-19(27)18(26)17(25)16(8-24)32-23/h3-7,13,16-20,23-27H,8-9H2,1-2H3

1.8 Canónico SMILES: COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC

1.9 Isómero SMILES: COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC

no data available

no data available

Molecular Weight：462.4g/mol
Molecular Formula：C₂₃H₂₆O₁₀
Compound Is Canonicalized：True
Exact Mass：0.8
XLogP3-AA：462.15259702
Monoisotopic Mass：462.15259702
Complexity：665
Rotatable Bond Count：5
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：10
Topological Polar Surface Area：136
Heavy Atom Count：：33
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：7
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB4PAAAAAAAAAAAAAAAAAAAASAAAAA0aIEAAAAAAEiRQAAAGgAACAAADRSwmAMyDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNyKEMRqieCKlwBUPqAfA4PwOoAABCAAIQABAAAIQABCAAAAAAAAAAA==