Glycoside
GD005454
Name:
NoneFormula:
C17H18O7NClSmiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C1=Cc2cc(Cl)ccc2OC1Aglycone:
NC(=O)C1=Cc2cc(Cl)ccc2OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.77 | Num_heavy_atoms: | 25 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD04635
Formula: C11H8O2NCl
Smiles:
NC(=O)C1=Cc2cc(Cl)ccc2OC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 209.63 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
