Glycoside
GD035159
Name:
NoneFormula:
C36H30O10N6Cl2Smiles:
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(Cc1ccccc1)NC(=O)[C@H](O)[C@H](O)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1ClAglycone:
NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1ClSugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 15 |
| MolWt: | 753.55 | Num_heavy_atoms: | 52 |
| TPSA: | 243.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD22263
Formula: C16H14O3N3Cl
Smiles:
NC(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.75 | Num_heavy_atoms: | 22 |
| TPSA: | 98.26 | NumAromaticRings: | 2 |
