Glycoside
GD003661
Name:
NoneFormula:
C14H18O4N4S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(CC4SCCS4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CC3SCCS3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.46 | Num_heavy_atoms: | 24 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD03297
Formula: C9H9N4S2
Smiles:
C1=Nc2c(CC3SCCS3)ncnc2[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.33 | Num_heavy_atoms: | 15 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
