Glycoside
GD037389
Name:
NoneFormula:
C22H19O6N2ClSmiles:
O=C(Nc1ccccc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccc(Cl)cc2c1=OAglycone:
O=C(Nc1ccccc1)c1c[nH]c2ccc(Cl)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.84 | Num_heavy_atoms: | 30 |
| TPSA: | 121.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD22264
Formula: C17H11O2N2Cl
Smiles:
O=C(Nc1ccccc1)c1c[nH]c2ccc(Cl)cc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.73 | Num_heavy_atoms: | 21 |
| TPSA: | 61.96 | NumAromaticRings: | 3 |
