Glycoside
GD032715
Name:
NoneFormula:
C15H18O7N6SSmiles:
Cc1noc(C)c1-c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Cc1noc(C)c1-c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.41 | Num_heavy_atoms: | 29 |
| TPSA: | 188.71 | 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 |
AD20941
Formula: C10H8ON5
Smiles:
Cc1noc(C)c1-c1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.21 | Num_heavy_atoms: | 16 |
| TPSA: | 78.27 | NumAromaticRings: | 2 |
