Glycoside
GD017881
Name:
NoneFormula:
C17H21O7N6PSmiles:
Nc1ncnc2c1nc(NCc1ccccc1)n2C1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C(NCc1ccccc1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.36 | Num_heavy_atoms: | 31 |
| TPSA: | 198.1 | NumAromaticRings: | 3 |
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 |
AD02977
Formula: C12H11N6
Smiles:
Nc1ncnc2c1N=C(NCc1ccccc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.26 | Num_heavy_atoms: | 18 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
