Glycoside
GD038290
Name:
8-aza-nebularine-5'-monophosphateFormula:
C9H14O8N5PSmiles:
O=P(O)(O)OC[C@H]1O[C@H](n2nnc3c2N=CN[C@@H]3O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)O.OC1NC=NC2=C1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.21 | Num_heavy_atoms: | 23 |
| TPSA: | 191.78 | 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 |
AD23948
Formula: C4H4ON5
Smiles:
OC1NC=NC2=C1N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.44 | NumAromaticRings: | 0 |
