Glycoside
GD007529
Name:
NoneFormula:
C16H19O5N6ClSSmiles:
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@H]1OAglycone:
CSC1CNC(C(=O)O)C1.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.87 | Num_heavy_atoms: | 28 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03189
Formula: C6H11O2NS
Smiles:
CSC1CNC(C(=O)O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
