Glycoside
GD003898
Name:
NoneFormula:
C14H22O9N4Smiles:
CN(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)Cn1ccnc1[N+](=O)[O-]Aglycone:
CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.35 | Num_heavy_atoms: | 27 |
| TPSA: | 180.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD03471
Formula: C8H12O4N4
Smiles:
CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 228.21 | Num_heavy_atoms: | 16 |
| TPSA: | 101.5 | NumAromaticRings: | 1 |
