Glycoside
GD018700
Name:
NoneFormula:
C17H21O16N6P3Smiles:
Nc1nc(OCc2ccccc2[N+](=O)[O-])c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(OCc3ccccc3[N+](=O)[O-])n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 658.3 | Num_heavy_atoms: | 42 |
| TPSA: | 331.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD08732
Formula: C12H9O3N6
Smiles:
Nc1nc2c(c(OCc3ccccc3[N+](=O)[O-])n1)N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.24 | Num_heavy_atoms: | 21 |
| TPSA: | 130.63 | NumAromaticRings: | 2 |
