Glycoside
GD027462
Name:
NoneFormula:
C17H17O4N5S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)[C@H]1OC1Sc2ccccc2S1Aglycone:
Nc1ncnc2c1N=C[N]2.OC1Sc2ccccc2S1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.49 | Num_heavy_atoms: | 28 |
| TPSA: | 128.54 | 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 |
AD00865
Formula: C7H6OS2
Smiles:
OC1Sc2ccccc2S1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.26 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
