AB52232
2450-53-5 | 3,5-Di-O-caffeoylquinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52232
ChemicalName
3,5-Di-O-caffeoylquinic acid
CasNumber
2450-53-5
MolecularFormula
C25H24O12
MolecularWeight
516.4509
MdlNumber
MFCD00951290
Smiles
O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Complexity
825
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
2
HeavyAtomCount
37
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
7
RotatableBondCount
9
Xlogp3
1.5
