Glycoside
GD020694
Name:
NoneFormula:
C13H14O3N6S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2nccs2)[C@H](O)[C@H]1OAglycone:
CSc1nccs1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.43 | Num_heavy_atoms: | 24 |
| TPSA: | 132.2 | NumAromaticRings: | 3 |
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 |
AD14252
Formula: C4H5NS2
Smiles:
CSc1nccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.22 | Num_heavy_atoms: | 7 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
