Glycoside
GD022294
Name:
NoneFormula:
C21H18O6N2Cl2Smiles:
OC[C@@H]1O[C@H](Oc2ccc(-n3ccc4cc(Cl)cnc43)cc2Cl)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-n2ccc3cc(Cl)cnc32)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 441.27 | Num_heavy_atoms: | 29 |
| TPSA: | 117.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD15133
Formula: C15H8ON2Cl2
Smiles:
Oc1ccc(-n2ccc3cc(Cl)cnc32)cc1Cl| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 279.13 | Num_heavy_atoms: | 18 |
| TPSA: | 38.05 | NumAromaticRings: | 3 |
