Glycoside
GD003165
Name:
NoneFormula:
C10H13O7N5PSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](=O)[O-])[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CO[PH](=O)[O-].Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.22 | Num_heavy_atoms: | 23 |
| TPSA: | 188.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD02899
Formula: CH4O3P
Smiles:
CO[PH](=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 95.01 | Num_heavy_atoms: | 5 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
