Glycoside
GD036643
Name:
NoneFormula:
C15H23O5N9SSmiles:
Cn1cc(CNC2=C3N=CN([C@@H]4O[C@H](CNS(N)(=O)=O)[C@H](O)[C@H]4O)C3NC=N2)cn1Aglycone:
CNS(N)(=O)=O.Cn1cc(CNC2=C3N=CNC3NC=N2)cn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.47 | Num_heavy_atoms: | 30 |
| TPSA: | 191.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00669
Formula: CH6O2N2S
Smiles:
CNS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.14 | Num_heavy_atoms: | 6 |
| TPSA: | 72.19 | NumAromaticRings: | 0 |
AD23105
Formula: C10H13N7
Smiles:
Cn1cc(CNC2=C3N=CNC3NC=N2)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.26 | Num_heavy_atoms: | 17 |
| TPSA: | 78.63 | NumAromaticRings: | 1 |
