Glycoside
GD111902
Name:
NoneFormula:
C26H18O7N2Cl2Smiles:
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1)c1ccccc1ClAglycone:
NCc1ccccn1.O=Cc1ccccc1Cl.O=Cc1ccccc1ClSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.32 | Num_heavy_atoms: | 35 |
| TPSA: | 131.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD15385
Formula: C6H8N2
Smiles:
NCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
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 |
