Glycoside
GD033498
Name:
NoneFormula:
C22H26O6N3FSmiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(=O)Nc3cccc(F)c3)[C@H](O)[C@H]2O)cc1Aglycone:
CNC(=O)Nc1cccc(F)c1.COc1ccc(CNC(C)=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.46 | Num_heavy_atoms: | 32 |
| TPSA: | 129.15 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD21381
Formula: C10H13O2N
Smiles:
COc1ccc(CNC(C)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
