Glycoside
GD034452
Name:
NoneFormula:
C13H20O6N6Smiles:
Nc1nc(NCC(O)CO)c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc2c(c(NCC(O)CO)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.34 | Num_heavy_atoms: | 25 |
| TPSA: | 192.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD21902
Formula: C8H11O2N6
Smiles:
Nc1nc2c(c(NCC(O)CO)n1)N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 223.22 | Num_heavy_atoms: | 16 |
| TPSA: | 130.75 | NumAromaticRings: | 1 |
