Glycoside
GD018732
Name:
NoneFormula:
C9H15O14N3P3ISmiles:
NC(=O)c1nn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)cc1IAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.NC(=O)C1=N[N]C=C1ISugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 609.05 | Num_heavy_atoms: | 30 |
| TPSA: | 270.42 | NumAromaticRings: | 1 |
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 |
AD02604
Formula: C4H3ON3I
Smiles:
NC(=O)C1=N[N]C=C1I| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 235.99 | Num_heavy_atoms: | 9 |
| TPSA: | 69.55 | NumAromaticRings: | 0 |
