Glycoside
GD085560
Name:
NoneFormula:
C18H21O4N5SSmiles:
CNc1nc(SCc2ccccc2)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1Aglycone:
CNc1nc2c(c(SCc3ccccc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD38162
Formula: C13H12N5S
Smiles:
CNc1nc2c(c(SCc3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.34 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
