Glycoside
GD026642
Name:
NoneFormula:
C20H21O4N3SSmiles:
C=Cc1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
C=Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.47 | Num_heavy_atoms: | 28 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD17551
Formula: C15H12N3S
Smiles:
C=Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.35 | Num_heavy_atoms: | 19 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
