Glycoside
GD020813
Name:
NoneFormula:
C20H22O4N4SSmiles:
Cc1ccc(C=CCSc2ncnc3c2cnn3C2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(C=CCSc2ncnc3c2C=N[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.49 | Num_heavy_atoms: | 29 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD14311
Formula: C15H13N4S
Smiles:
Cc1ccc(C=CCSc2ncnc3c2C=N[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.36 | Num_heavy_atoms: | 20 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
