Glycoside
GD089362
Name:
NoneFormula:
C19H24O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCc5sccc5C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCc3sccc3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.51 | Num_heavy_atoms: | 30 |
| TPSA: | 128.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD38984
Formula: C14H15N6S
Smiles:
C1=Nc2c(ncnc2NCCN2CCc3sccc3C2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.38 | Num_heavy_atoms: | 21 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
