(6aR, 11 aR)-3-hydroxy-9-diMéthoxy ptérocarpane–0–O–β–D–glucoside 94367-42-7 wiki

1.1 Nom du produit: (6aR, 11 aR)-3-hydroxy-9-diMéthoxy ptérocarpane–0–O–β–D–glucoside

1.2 synonymes: (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 Canonique 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 Isomérique 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==