Glycoside
GD091925
Name:
NoneFormula:
C18H27O6N5SSmiles:
CCC1(CC)CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCS1(=O)=OAglycone:
CCC1(CC)CN(c2ncnc3c2N=C[N]3)CCS1(=O)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 441.51 | Num_heavy_atoms: | 30 |
| TPSA: | 150.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD40109
Formula: C13H18O2N5S
Smiles:
CCC1(CC)CN(c2ncnc3c2N=C[N]3)CCS1(=O)=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.39 | Num_heavy_atoms: | 21 |
| TPSA: | 89.62 | NumAromaticRings: | 1 |
