Glycoside
GD022728
Name:
NoneFormula:
C18H17O4N4ClSSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1cccc(CSc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.87 | Num_heavy_atoms: | 27 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD15375
Formula: C13H8N4ClS
Smiles:
Clc1cccc(CSc2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.74 | Num_heavy_atoms: | 18 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
