Glycoside
GD022452
Name:
NoneFormula:
C16H23O9N6PSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)[C@H](N)CCC(=O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CC(=O)C(N)CCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 474.37 | Num_heavy_atoms: | 32 |
| TPSA: | 246.23 | NumAromaticRings: | 2 |
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 |
AD15219
Formula: C7H14O6NP
Smiles:
COP(=O)(O)CC(=O)C(N)CCC(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 239.16 | Num_heavy_atoms: | 15 |
| TPSA: | 126.92 | NumAromaticRings: | 0 |
