Glycoside
GD026710
Name:
NoneFormula:
C29H28O5N7FSmiles:
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
C=CC(=O)N1CCN(c2ccc(F)cc2)CC1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 573.59 | Num_heavy_atoms: | 42 |
| TPSA: | 145.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD17592
Formula: C13H15ON2F
Smiles:
C=CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.27 | Num_heavy_atoms: | 17 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
