Glycoside
GD016776
Name:
NoneFormula:
C21H20O5N3ClSmiles:
O=C(NCc1ccccc1Cl)c1ccc2[nH]c([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)nc2c1Aglycone:
O=C(NCc1ccccc1Cl)c1ccc2[nH]cnc2c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.85 | Num_heavy_atoms: | 29 |
| TPSA: | 127.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD12039
Formula: C16H12ON3Cl
Smiles:
O=C(NCc1ccccc1Cl)c1ccc2[nH]cnc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.73 | Num_heavy_atoms: | 20 |
| TPSA: | 57.78 | NumAromaticRings: | 3 |
