Glycoside
GD092480
Name:
NoneFormula:
C18H18O5N5ClSSmiles:
Nc1nc2c(nc(SCc3ccc(Cl)cc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1ccc(Cl)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.88 | Num_heavy_atoms: | 29 |
| TPSA: | 159.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD40336
Formula: C13H9ON5ClS
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.76 | Num_heavy_atoms: | 20 |
| TPSA: | 98.23 | NumAromaticRings: | 2 |
