Glycoside
GD006665
Name:
NoneFormula:
C18H23O7N10PSmiles:
Nc1ncnc2c1ncn2COCCP(=O)(O)O[C@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1ncn2COCCP(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.42 | Num_heavy_atoms: | 36 |
| TPSA: | 244.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05491
Formula: C8H12O4N5P
Smiles:
Nc1ncnc2c1ncn2COCCP(=O)(O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.19 | Num_heavy_atoms: | 18 |
| TPSA: | 136.38 | NumAromaticRings: | 2 |
