Glycoside
GD069769
Name:
NoneFormula:
C15H15O8N3Smiles:
O=c1ccn([C@@H]2O[C@H](COc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COc1ccc([N+](=O)[O-])cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.3 | Num_heavy_atoms: | 26 |
| TPSA: | 156.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD22272
Formula: C7H7O3N
Smiles:
COc1ccc([N+](=O)[O-])cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 52.37 | NumAromaticRings: | 1 |
