Glycoside
GD022607
Name:
NoneFormula:
C24H23O6N5Cl2Smiles:
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1Aglycone:
NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.36 | Num_heavy_atoms: | 35 |
| TPSA: | 161.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD15309
Formula: C18H13ON5Cl2
Smiles:
NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.22 | Num_heavy_atoms: | 24 |
| TPSA: | 85.83 | NumAromaticRings: | 3 |
