Glycoside
GD103624
Name:
NoneFormula:
C19H22O11N3FSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(F)c([N+](=O)[O-])c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1cnc(F)c([N+](=O)[O-])c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.39 | Num_heavy_atoms: | 34 |
| TPSA: | 182.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD26635
Formula: C5H4O2N3F
Smiles:
Nc1cnc(F)c([N+](=O)[O-])c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.1 | Num_heavy_atoms: | 11 |
| TPSA: | 82.05 | NumAromaticRings: | 1 |
