Glycoside
GD144875
Name:
4-[(5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-4-yl)formamido]-4-oxobutanoic acidFormula:
C13H19O11N4PSmiles:
Nc1c(C(=O)N=C(O)CCC(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.NC1=C(C(=O)N=C(O)CCC(=O)O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.29 | Num_heavy_atoms: | 29 |
| TPSA: | 247.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD58058
Formula: C8H9O4N4
Smiles:
NC1=C(C(=O)N=C(O)CCC(=O)O)N=C[N]1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 225.18 | Num_heavy_atoms: | 16 |
| TPSA: | 139.44 | NumAromaticRings: | 0 |
