2-Hydroxy-2-(4-hydroxyphenyl)acetic acid; (ξ)-form, Nitrile, di-O-β-D-glucopyranoside
AlkaPlorer ID: AK301250
Synonym: Proteacin
IUPAC Name: 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
Structure
SMILES: N#CC(OC1OC(CO)C(O)C(O)C1O)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1
InChI: InChI=1S/C20H27NO12/c21-5-10(31-20-18(29)16(27)14(25)12(7-23)33-20)8-1-3-9(4-2-8)30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2
InChIKey: RJPLGQRRNXUSQI-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 473.43100000000015
TPSA？: 222.54999999999995
MolLogP？: -3.753519999999997
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 3
Activities Information
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