Glycoside
GD015308
Name:
NoneFormula:
C16H17O9N3Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1Aglycone:
O=c1[nH]cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.32 | Num_heavy_atoms: | 28 |
| TPSA: | 177.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD11139
Formula: C11H9O5N3
Smiles:
O=c1[nH]cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.21 | Num_heavy_atoms: | 19 |
| TPSA: | 118.09 | NumAromaticRings: | 2 |
