Glycoside
GD143511
Name:
2-(1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-4-yl)acetic acidFormula:
C10H15O9N2PSmiles:
O=C(O)Cc1cn(C2OC(COP(=O)(O)O)C(O)C2O)cn1Aglycone:
COP(=O)(O)O.O=C(O)CC1=C[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.21 | Num_heavy_atoms: | 22 |
| TPSA: | 171.57 | 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 |
AD45203
Formula: C5H5O2N2
Smiles:
O=C(O)CC1=C[N]C=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 63.76 | NumAromaticRings: | 0 |
