Glycoside
GD112773
Name:
NoneFormula:
C28H22O7N2Cl2Smiles:
CN(C)c1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1Aglycone:
CN(C)c1ccc(N)cc1.O=Cc1ccccc1Cl.O=Cc1ccccc1ClSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 545.38 | Num_heavy_atoms: | 37 |
| TPSA: | 122.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD25413
Formula: C8H5OCl
Smiles:
O=Cc1ccccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.57 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD43961
Formula: C8H12N2
Smiles:
CN(C)c1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.2 | Num_heavy_atoms: | 10 |
| TPSA: | 29.26 | NumAromaticRings: | 1 |
