Campyloside B

AlkaPlorer ID: AK357712

Synonym: None

IUPAC Name: [(1R,2S,3E,4S,6R)-6-benzoyloxy-3-(cyanomethylidene)-2-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 1H-pyrrole-2-carboxylate

Structure

SMILES: N#C/C=C1/[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CN2)[C@H]1O

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InChI: InChI=1S/C26H28N2O11/c27-9-8-14-16(37-26-22(33)21(32)20(31)18(12-29)38-26)11-17(36-24(34)13-5-2-1-3-6-13)23(19(14)30)39-25(35)15-7-4-10-28-15/h1-8,10,16-23,26,28-33H,11-12H2/b14-8-/t16-,17+,18+,19-,20+,21-,22+,23-,26+/m0/s1

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InChIKey: CPYMRMLEZYENLQ-KSUOYIDKSA-N

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Source

Properties Information

Molecule Weight: 544.5130000000004

TPSA: 211.79

MolLogP: -0.8346199999999993

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information