Glycoside
GD025143
Name:
NoneFormula:
C11H15O9N4PSmiles:
COc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)O.COc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.23 | Num_heavy_atoms: | 25 |
| TPSA: | 189.51 | 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 |
AD16704
Formula: C6H5O2N4
Smiles:
COc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.13 | Num_heavy_atoms: | 12 |
| TPSA: | 81.7 | NumAromaticRings: | 1 |
