Glycoside
GD091992
Name:
NoneFormula:
C18H27O5N5SSmiles:
CCC1(CC)CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC[S@]1=OAglycone:
CCC1(CC)CN(c2ncnc3c2N=C[N]3)CCS1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.51 | Num_heavy_atoms: | 29 |
| TPSA: | 133.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD40153
Formula: C13H18ON5S
Smiles:
CCC1(CC)CN(c2ncnc3c2N=C[N]3)CCS1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.39 | Num_heavy_atoms: | 20 |
| TPSA: | 72.55 | NumAromaticRings: | 1 |
