Glycoside
GD007111
Name:
NoneFormula:
C11H12O7N4PClSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Clc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.65 | Num_heavy_atoms: | 23 |
| TPSA: | 160.05 | 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 |
AD05203
Formula: C6H2N4Cl
Smiles:
Clc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.55 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
