Glycoside
GD082539
Name:
NoneFormula:
C17H17O7N4ClSmiles:
O=c1nc2n(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccc(Cl)cc3nc-2c(=O)[nH]1Aglycone:
Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.79 | Num_heavy_atoms: | 28 |
| TPSA: | 181.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD37075
Formula: C12H7O2N4Cl
Smiles:
Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.66 | Num_heavy_atoms: | 18 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
