Glycoside
GD040428
Name:
xanthosine-5'-monophosphateFormula:
C10H14O9N4PSmiles:
O=c1[nH]c(=O)c2[nH+]cn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2[nH]1Aglycone:
COP(=O)(O)O.O=c1[nH]c2c(c(=O)[nH]1)[NH+]=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.21 | Num_heavy_atoms: | 24 |
| TPSA: | 201.24 | NumAromaticRings: | 2 |
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 |
AD24766
Formula: C5H4O2N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)[NH+]=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.11 | Num_heavy_atoms: | 11 |
| TPSA: | 93.79 | NumAromaticRings: | 1 |
