Glycoside
GD101715
Name:
NoneFormula:
C22H24O7N5FSmiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1C(F)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.46 | Num_heavy_atoms: | 35 |
| TPSA: | 168.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD43071
Formula: C17H15O3N5F
Smiles:
COC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1C(F)=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 356.34 | Num_heavy_atoms: | 26 |
| TPSA: | 107.31 | NumAromaticRings: | 2 |
