Glycoside
GD076706
Name:
NoneFormula:
C17H24O6N3FSmiles:
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H]1OAglycone:
CNC(=O)Nc1cccc(F)c1.COCCNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 385.39 | Num_heavy_atoms: | 27 |
| TPSA: | 129.15 | NumAromaticRings: | 1 |
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 |
AD24971
Formula: C5H11O2N
Smiles:
COCCNC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
