Glycoside
GD070811
Name:
NoneFormula:
C18H20O4N4FSmiles:
Cc1c(F)cccc1Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1c(F)cccc1Nc1[nH+]cnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.38 | Num_heavy_atoms: | 27 |
| TPSA: | 113.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD33515
Formula: C13H11N4F
Smiles:
Cc1c(F)cccc1Nc1[nH+]cnc2c1C=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.26 | Num_heavy_atoms: | 18 |
| TPSA: | 53.16 | NumAromaticRings: | 2 |
