Glycoside
GD093021
Name:
NoneFormula:
C21H20O8NClSmiles:
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Cc1c(Cl)cccc1Nc1ccccc1C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 437.83 | Num_heavy_atoms: | 30 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD40381
Formula: C15H12O2NCl
Smiles:
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.71 | Num_heavy_atoms: | 18 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
