Glycoside
GD037564
Name:
NoneFormula:
C19H31O8N5Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CNCc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H](O)[C@H]2N)[C@@H](O)[C@H]1OAglycone:
CNCc1ccc([N+](=O)[O-])cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.48 | Num_heavy_atoms: | 32 |
| TPSA: | 232.61 | 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 |
AD23647
Formula: C8H10O2N2
Smiles:
CNCc1ccc([N+](=O)[O-])cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 55.17 | NumAromaticRings: | 1 |
