Glycoside
GD030689
Name:
NoneFormula:
C16H22O11N6FP2ClSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)C(F)P(=O)(O)OCCNC(=O)CCl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)C(F)P(=O)(O)OCCNC(=O)CCl.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 578.77 | Num_heavy_atoms: | 36 |
| TPSA: | 261.44 | 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 |
AD19844
Formula: C7H13O7NFP2Cl
Smiles:
COP(=O)(O)C(F)P(=O)(O)OCCNC(=O)CCl| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 327.57 | Num_heavy_atoms: | 18 |
| TPSA: | 122.16 | NumAromaticRings: | 0 |
