4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid; O-β-D-Glucopyranoside
AlkaPlorer ID: AK286009
Synonym: None
IUPAC Name: 4-[2-amino-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxobutanoic acid
Structure
SMILES: NC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC=C1C(=O)CCC(=O)O
InChI: InChI=1S/C16H21NO9/c17-12-7(8(19)4-5-11(20)21)2-1-3-9(12)25-16-15(24)14(23)13(22)10(6-18)26-16/h1-3,10,13-16,18,22-24H,4-6,17H2,(H,20,21)
InChIKey: XEXCWFKGYJFAQK-UHFFFAOYSA-N
Reference
CAS: 156913-43-8
Source
Properties Information
Molecule Weight: 371.3420000000002
TPSA？: 179.77
MolLogP？: -1.5049999999999994
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 2
Activities Information
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