Glycoside
GD091492
Name:
NoneFormula:
C19H22O4N6SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(NCCc1ccccc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 137.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD39929
Formula: C14H13N6S
Smiles:
S=C(NCCc1ccccc1)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 297.37 | Num_heavy_atoms: | 21 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
