Glycoside
GD001153
Name:
NoneFormula:
C19H30O7N4Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
CNC(=O)c1ccccc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.47 | Num_heavy_atoms: | 30 |
| TPSA: | 206.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
