Glycoside
GD092475
Name:
NoneFormula:
C19H21O5N5SSmiles:
Nc1nc2c(nc(SC/C=C/c3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCC=Cc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.47 | Num_heavy_atoms: | 30 |
| TPSA: | 159.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD40335
Formula: C14H12ON5S
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCC=Cc1ccccc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.35 | Num_heavy_atoms: | 21 |
| TPSA: | 98.23 | NumAromaticRings: | 2 |
