(2S,4R,6R)-2-{3,4-dihydroxy-5-[2-(pyridin-3-yl)ethoxy]phenyl}-6-[(2R)-1-(4-hydroxy-3-methoxyphenyl)heptan-2-yl]oxan-4-yl acetate
AlkaPlorer ID: AK160266
Synonym: None
IUPAC Name: [(2S,4R,6R)-2-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-6-[(2R)-1-(4-hydroxy-3-methoxyphenyl)heptan-2-yl]oxan-4-yl] acetate
Structure
SMILES: CCCCC[C@H](CC1=CC=C(O)C(OC)=C1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](C2=CC(O)=C(O)C(OCCC3=CC=CN=C3)=C2)O1
InChI: InChI=1S/C34H43NO8/c1-4-5-6-9-25(15-24-10-11-28(37)32(16-24)40-3)30-19-27(42-22(2)36)20-31(43-30)26-17-29(38)34(39)33(18-26)41-14-12-23-8-7-13-35-21-23/h7-8,10-11,13,16-18,21,25,27,30-31,37-39H,4-6,9,12,14-15,19-20H2,1-3H3/t25-,27-,30-,31+/m1/s1
InChIKey: IRPUGAKJOMJQMZ-WLKPROSASA-N
Source
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Properties Information
Molecule Weight: 593.7170000000004
TPSA？: 127.57
MolLogP？: 6.419500000000011
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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