Glycoside
GD002022
Name:
NoneFormula:
C18H17O4N5SSmiles:
N#Cc1cccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
N#Cc1cccc(CSc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.43 | Num_heavy_atoms: | 28 |
| TPSA: | 137.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD01967
Formula: C13H8N5S
Smiles:
N#Cc1cccc(CSc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.31 | Num_heavy_atoms: | 19 |
| TPSA: | 76.03 | NumAromaticRings: | 2 |
