Sangivamycic acid; Nitrile, 5'-O-α-D-glucopyranoside 

AlkaPlorer ID: AK312888

Synonym: Toyocamycin 5'-α-D-glucopyranose 

IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Structure

SMILES: N#CC1=CN(C2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C2=C1C(N)=NC=N2

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InChI: InChI=1S/C18H23N5O9/c19-1-6-2-23(16-9(6)15(20)21-5-22-16)17-13(28)11(26)8(31-17)4-30-18-14(29)12(27)10(25)7(3-24)32-18/h2,5,7-8,10-14,17-18,24-29H,3-4H2,(H2,20,21,22)

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InChIKey: ZUGZJAKWUOWKAA-UHFFFAOYSA-N

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Reference

PubChem CID: 14349236

COCONUT: CNP0310665.1

Properties Information

Molecule Weight: 453.4080000000001

TPSA: 229.59

MolLogP: -3.6791199999999966

Number of H-Donors: 7

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information