Glycoside
GD037315
Name:
NoneFormula:
C17H21O7N7PClSmiles:
Cn1cc(CNc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](COCP(=O)(O)O)[C@H](O)[C@H]2O)cn1Aglycone:
COCP(=O)(O)O.Cn1cc(CNc2nc(Cl)nc3c2N=C[N]3)cn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 489.81 | Num_heavy_atoms: | 32 |
| TPSA: | 189.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD01581
Formula: C2H7O4P
Smiles:
COCP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23516
Formula: C11H9N7Cl
Smiles:
Cn1cc(CNc2nc(Cl)nc3c2N=C[N]3)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.68 | Num_heavy_atoms: | 18 |
| TPSA: | 82.09 | NumAromaticRings: | 2 |
