Glycoside
GD086367
Name:
NoneFormula:
C19H32O7N4Smiles:
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1ccccc1Aglycone:
NC(=O)c1ccccc1.NC1CC([NH3+])C(O)C(O)C1OSugarmoiety:
[NH3+]CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.63 |
| AlogP: | -5.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.49 | Num_heavy_atoms: | 30 |
| TPSA: | 209.78 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD25398
Formula: C6H15O3N2
Smiles:
NC1CC([NH3+])C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.2 | Num_heavy_atoms: | 11 |
| TPSA: | 114.35 | NumAromaticRings: | 0 |
