Glycoside
GD013052
Name:
NoneFormula:
C21H24O4N7ClSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)Nc1ccc(Cl)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 493.98 | Num_heavy_atoms: | 33 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09790
Formula: C12H15ON2ClS
Smiles:
CSCCCNC(=O)Nc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.77 | Num_heavy_atoms: | 16 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
