Glycoside
GD034322
Name:
NoneFormula:
C9H15O7N4PSmiles:
N=c1ccn([C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[C@H]2O)c(N)n1Aglycone:
N=C1C=C[N]C(N)=N1.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.21 | Num_heavy_atoms: | 21 |
| TPSA: | 184.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD19528
Formula: C4H5N4
Smiles:
N=C1C=C[N]C(N)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.11 | Num_heavy_atoms: | 8 |
| TPSA: | 76.33 | NumAromaticRings: | 0 |
