Glycoside
GD073698
Name:
NoneFormula:
C16H23O5N5SSmiles:
C[C@@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)S1=OAglycone:
CC1CN(c2ncnc3c2N=C[N]3)CC(C)S1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 397.46 | Num_heavy_atoms: | 27 |
| TPSA: | 133.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD34126
Formula: C11H14ON5S
Smiles:
CC1CN(c2ncnc3c2N=C[N]3)CC(C)S1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.33 | Num_heavy_atoms: | 18 |
| TPSA: | 72.55 | NumAromaticRings: | 1 |
