Glycoside
GD029012
Name:
NoneFormula:
C25H31O3N6FSSmiles:
CN1[C@H]2CCC[C@@H]1C[C@@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CSc3ccccc3F)[C@H](O)[C@H]1O)C2Aglycone:
CN1C2CCCC1CC(Nc1ncnc3c1N=C[N]3)C2.CSc1ccccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.63 | Num_heavy_atoms: | 36 |
| TPSA: | 108.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD04877
Formula: C7H7FS
Smiles:
CSc1ccccc1F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.2 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD13135
Formula: C14H19N6
Smiles:
CN1C2CCCC1CC(Nc1ncnc3c1N=C[N]3)C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 271.35 | Num_heavy_atoms: | 20 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
