Glycoside
GD000446
Name:
NoneFormula:
C14H12O4N2Cl2Smiles:
OC[C@@H]1O[C@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@H]1OAglycone:
Clc1cc2nc[nH]c2cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.14 | Num_heavy_atoms: | 20 |
| TPSA: | 98.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00496
Formula: C9H4N2Cl2
Smiles:
Clc1cc2nc[nH]c2cc1Cl| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.03 | Num_heavy_atoms: | 11 |
| TPSA: | 28.68 | NumAromaticRings: | 2 |
