Glycoside
GD040062
Name:
(2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acidFormula:
C11H18O11N2Smiles:
O=C(O)C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(=O)NO)C(=O)OAglycone:
NC(=O)NO.O=C(O)CC(O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.27 | Num_heavy_atoms: | 24 |
| TPSA: | 215.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD24291
Formula: C4H6O5
Smiles:
O=C(O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.09 | Num_heavy_atoms: | 9 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
AD24647
Formula: CH4O2N2
Smiles:
NC(=O)NO| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
