Glycoside
GD025269
Name:
NoneFormula:
C15H24O13N6P2Smiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OCC4NC[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 558.33 | Num_heavy_atoms: | 36 |
| TPSA: | 294.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
