Glycoside
GD024702
Name:
NoneFormula:
C20H24O6N6SSmiles:
CN(c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1O)[C@@H]1CCc2ccccc21Aglycone:
CN(c1ncnc2c1N=C[N]2)C1CCc2ccccc21.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 165.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD16461
Formula: C15H14N5
Smiles:
CN(c1ncnc2c1N=C[N]2)C1CCc2ccccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.31 | Num_heavy_atoms: | 20 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
