None

AlkaPlorer ID: AK318940

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C([O-])C1=N[C@H](C(=O)O)CC(/C=C/N2C3=CC(OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C([O-])C=C3C[C@H]2C(=O)O)=C1

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InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/p-2/b2-1+/t12-,14-,17+,18+,19-,20+,24?/m0/s1

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InChIKey: IKCBLEDGTPAJDE-KXIYQBGKSA-L

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Reference

NPASS: NPC192199

Properties Information

Molecule Weight: 548.4570000000003

TPSA: 252.76999999999995

MolLogP: -3.757499999999992

Number of H-Donors: 6

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information