Glycoside
GD005774
Name:
NoneFormula:
C21H20O8N2Smiles:
NC(=O)N1c2ccccc2C=C(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
NC(=O)N1c2ccccc2C=C(O)c2ccccc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.4 | Num_heavy_atoms: | 31 |
| TPSA: | 162.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD04855
Formula: C15H12O2N2
Smiles:
NC(=O)N1c2ccccc2C=C(O)c2ccccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 66.56 | NumAromaticRings: | 2 |
