Glycoside
GD069873
Name:
NoneFormula:
C17H19O5N2FSmiles:
C#CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1OAglycone:
C#CCNC(C)=O.CNC(=O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.35 | Num_heavy_atoms: | 25 |
| TPSA: | 107.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD21327
Formula: C8H8ONF
Smiles:
CNC(=O)c1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD24844
Formula: C5H7ON
Smiles:
C#CCNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
