Glycoside
GD030117
Name:
NoneFormula:
C18H18O3N4F2Smiles:
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](N)c2ccc(F)c(F)c2)[C@H](O)[C@H]1OAglycone:
Cc1ncnc2c1C=C[N]2.NCc1ccc(F)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 106.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00535
Formula: C7H6N3
Smiles:
Cc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.15 | Num_heavy_atoms: | 10 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
AD19509
Formula: C7H7NF2
Smiles:
NCc1ccc(F)c(F)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 143.14 | Num_heavy_atoms: | 10 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
