AI45447

22888-70-6 | (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one

Manufacturer: A2B Chem

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CatalogNumber

AI45447

ChemicalName

(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one

CasNumber

22888-70-6

MolecularFormula

C25H22O10

MolecularWeight

482.4362

MdlNumber

MFCD00872186

Smiles

OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

NscNumber

651520

Complexity

750

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

4

HeavyAtomCount

35

HydrogenBondAcceptorCount

10

HydrogenBondDonorCount

5

RotatableBondCount

4

Xlogp3

2.4

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