Glycoside
GD030003
Name:
NoneFormula:
C21H22O6N2F2Smiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2OC(F)F)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNC(=O)c1ccccc1OC(F)FSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 117.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD19451
Formula: C9H9O2NF2
Smiles:
CNC(=O)c1ccccc1OC(F)F| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 201.17 | Num_heavy_atoms: | 14 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
