Glycoside
GD038712
Name:
phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] esterFormula:
C9H13O8N3PBrSmiles:
Nc1nc(=O)n([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)cc1BrAglycone:
COP(=O)(O)O.Nc1nc(=O)[nH]cc1BrSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.09 | Num_heavy_atoms: | 22 |
| TPSA: | 177.36 | 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 |
AD11954
Formula: C4H4ON3Br
Smiles:
Nc1nc(=O)[nH]cc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.0 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
