Glycoside
GD013188
Name:
NoneFormula:
C22H23O4N7FClSmiles:
CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@H]1OAglycone:
CNc1nc(Cl)nc2c1N=C[N]2.O=CN1CCN(c2ccc(F)cc2)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 491.91 | Num_heavy_atoms: | 34 |
| TPSA: | 128.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD01840
Formula: C7H5N5Cl
Smiles:
CNc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.59 | Num_heavy_atoms: | 12 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD09418
Formula: C11H13ON2F
Smiles:
O=CN1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.24 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
