Glycoside
GD025929
Name:
NoneFormula:
C20H25O7N7SSmiles:
CC(=O)NCc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
CC(=O)NCc1ccccc1CNc1ncnc2c1N=C[N]2.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 507.53 | Num_heavy_atoms: | 35 |
| TPSA: | 203.81 | 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 |
AD17133
Formula: C15H15ON6
Smiles:
CC(=O)NCc1ccccc1CNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.33 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
