Glycoside
GD012317
Name:
NoneFormula:
C18H25O11N6P2ClSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)OC3CCN(C(=O)CCl)C3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CP(=O)(O)OC1CCN(C(=O)CCl)C1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 586.82 | Num_heavy_atoms: | 37 |
| TPSA: | 252.65 | 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 |
AD09305
Formula: C9H16O7NP2Cl
Smiles:
COP(=O)(O)CP(=O)(O)OC1CCN(C(=O)CCl)C1| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.62 | Num_heavy_atoms: | 19 |
| TPSA: | 113.37 | NumAromaticRings: | 0 |
