Glycoside
GD005667
Name:
NoneFormula:
C11H16O6N5PSmiles:
C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OCP(=O)(O)OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)COSugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 345.25 | Num_heavy_atoms: | 23 |
| TPSA: | 165.84 | 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 |
AD03220
Formula: CH5O4P
Smiles:
O=P(O)(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
