Glycoside
GD012333
Name:
NoneFormula:
C21H23O5N6ClSSmiles:
Nc1ncnc2c1nc(SCC(=O)NCCc1ccc(Cl)cc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.96 | Num_heavy_atoms: | 33 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD09318
Formula: C16H14ON6ClS
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc(Cl)cc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.84 | Num_heavy_atoms: | 24 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
