Glycoside
GD067714
Name:
NoneFormula:
C17H24O6N2Smiles:
CO[C@@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](OC)[C@H]1NC(=O)c1ccccc1Aglycone:
CNC(C)=O.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.39 | Num_heavy_atoms: | 25 |
| TPSA: | 106.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
