Glycoside
GD092610
Name:
NoneFormula:
C21H20O6N3ClSmiles:
O=c1c2ccccc2nc(-c2ccccc2Cl)n1NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CNn1c(-c2ccccc2Cl)nc2ccccc2c1=OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.85 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00821
Formula: C16H12ON3Cl
Smiles:
CNn1c(-c2ccccc2Cl)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.73 | Num_heavy_atoms: | 20 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
