Glycoside
GD058395
Name:
NoneFormula:
C15H21O7N2Smiles:
O=C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1Cc2ccc([N+](=O)[O-])cc2C1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 341.34 | Num_heavy_atoms: | 24 |
| TPSA: | 157.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD29199
Formula: C9H11O2N2
Smiles:
[NH3+]C1Cc2ccc([N+](=O)[O-])cc2C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.2 | Num_heavy_atoms: | 13 |
| TPSA: | 70.78 | NumAromaticRings: | 1 |
