Glycoside
GD086036
Name:
NoneFormula:
C20H17O4N4ClSmiles:
OC[C@@H](O)[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3ccc(Cl)cc3nc12Aglycone:
Clc1ccc2nc3c(cnn3-c3ccccc3)nc2c1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.82 | Num_heavy_atoms: | 28 |
| TPSA: | 124.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD12519
Formula: C16H9N4Cl
Smiles:
Clc1ccc2nc3c(cnn3-c3ccccc3)nc2c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.72 | Num_heavy_atoms: | 20 |
| TPSA: | 43.6 | NumAromaticRings: | 4 |
