Glycoside
GD076889
Name:
NoneFormula:
C18H25O6N3Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)N2CCOCC2)[C@@H](O)[C@H]1O)Nc1ccccc1Aglycone:
CC(=O)Nc1ccccc1.CNC(=O)N1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 379.41 | Num_heavy_atoms: | 27 |
| TPSA: | 120.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD30365
Formula: C6H12O2N2
Smiles:
CNC(=O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
