Glycoside
GD013805
Name:
NoneFormula:
C19H18O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2ccc3ccccc3n2)[C@H](O)[C@H]1OAglycone:
CSc1ccc2ccccc2n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 132.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD10243
Formula: C10H9NS
Smiles:
CSc1ccc2ccccc2n1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.26 | Num_heavy_atoms: | 12 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
