Glycoside
GD085987
Name:
NoneFormula:
C20H22O5N3FSmiles:
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1O)Nc1ccccc1Aglycone:
CC(=O)Nc1ccccc1.CNC(=O)Nc1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.41 | Num_heavy_atoms: | 29 |
| TPSA: | 119.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD21380
Formula: C8H9ON2F
Smiles:
CNC(=O)Nc1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
