Glycoside
GD034973
Name:
NoneFormula:
C24H32O9N6F2Smiles:
O=C(O)[C@@H]1O[C@H](OC(=O)N2C[C@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1C(=O)O)N1CCC(F)(F)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 586.55 | Num_heavy_atoms: | 41 |
| TPSA: | 189.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD22167
Formula: C18H24O3N6F2
Smiles:
O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1C(=O)O)N1CCC(F)(F)C1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.43 | Num_heavy_atoms: | 29 |
| TPSA: | 93.11 | NumAromaticRings: | 1 |
