7,2'-디히드록시-3',4'-디메톡시이소플라반-7-O-글루코시드 94367-43-8 wiki

1.2 동의어: 7,2′-dihydroxy-3′,4′-dimethoxyisoflavane-7-O-glucoside;7,2′-Dihydroxy-3′,4′-diMethoxyisoflavan-7-O-β-D-glucopyranoside;3,4-Dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-2H-1-benzopyran-7-yl beta-D-glucopyranoside;7,2′-Dihydroxy-3′,4′-……

1.6 Inchi: InChI=1S/C23H28O10/c1-29-15-6-5-14(18(25)22(15)30-2)12-7-11-3-4-13(8-16(11)31-10-12)32-23-21(28)20(27)19(26)17(9-24)33-23/h3-6,8,12,17,19-21,23-28H,7,9-10H2,1-2H3/t12?,17-,19-,20+,21-,23-/m1/s1

1.8 교회법에 의거 한 SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2)O)OC

1.9 이성질체 SMILES: COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC2)O)OC

no data available

no data available

Molecular Weight：464.467g/mol
Molecular Formula：C₂₃H₂₈O₁₀
Compound Is Canonicalized：True
Exact Mass：1.1
XLogP3-AA：464.16824709
Monoisotopic Mass：464.16824709
Complexity：622
Rotatable Bond Count：6
Hydrogen Bond Donor Count：5
Hydrogen Bond Acceptor Count：10
Topological Polar Surface Area：147
Heavy Atom Count：：33
Defined Atom Stereocenter Count：5
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIEAAAAAAACRQAAAGgAACAAADRSwmAMyDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNyKGMRqieCOlwBUPuAfA4PwOoAABCAAIQABAAAIQABCAAAAAAAAAAA==

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