Campyloside A

AlkaPlorer ID: AK023410

Synonym: '', 'campyloside A'

IUPAC Name: [(1S,2S,3E,4S,6R)-3-(cyanomethylidene)-2,6-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] benzoate

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](O)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1O

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InChI: InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)19(15(11)25)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2/b11-6-/t12-,13+,14-,15+,16-,17+,18-,19+,21-/m1/s1

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InChIKey: CMXAEQAICZQYKP-JHITUFBASA-N

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Source

Properties Information

Molecule Weight: 451.42800000000017

TPSA: 189.93

MolLogP: -2.0274199999999976

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information