Glycoside
GD031532
Name:
NoneFormula:
C16H20O6N8SSmiles:
Cc1cnc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)cn1Aglycone:
COS(N)(=O)=O.Cc1cnc(CNc2ncnc3c2N=C[N]3)cn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.45 | Num_heavy_atoms: | 31 |
| TPSA: | 200.49 | 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 |
AD20305
Formula: C11H10N7
Smiles:
Cc1cnc(CNc2ncnc3c2N=C[N]3)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 90.05 | NumAromaticRings: | 2 |
