Glycoside
GD088831
Name:
NoneFormula:
C18H16O7N4Cl2Smiles:
O=c1nc2n(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c3cc(Cl)c(Cl)cc3nc-2c(=O)[nH]1Aglycone:
Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.23 | Num_heavy_atoms: | 29 |
| TPSA: | 181.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD38867
Formula: C13H6O2N4Cl2
Smiles:
Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 297.1 | Num_heavy_atoms: | 19 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
