Glycoside
GD019561
Name:
NoneFormula:
C29H28O13N4Smiles:
CC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)cc1Aglycone:
CC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 640.56 | Num_heavy_atoms: | 46 |
| TPSA: | 256.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD13644
Formula: C23H20O7N4
Smiles:
CC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.43 | Num_heavy_atoms: | 34 |
| TPSA: | 159.9 | NumAromaticRings: | 3 |
