Glycoside
GD030508
Name:
NoneFormula:
C23H21O7N2ClSmiles:
COc1ccc(NC(=O)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c3ccc(Cl)cc3c2=O)cc1Aglycone:
COc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.87 | Num_heavy_atoms: | 32 |
| TPSA: | 130.25 | NumAromaticRings: | 3 |
Unique Aglycone
AD19741
Formula: C18H13O3N2Cl
Smiles:
COc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.76 | Num_heavy_atoms: | 23 |
| TPSA: | 71.19 | NumAromaticRings: | 3 |
