Glycoside
GD021737
Name:
NoneFormula:
C16H17O5N5Smiles:
OC[C@@H]1OC(n2cnc3c(Nc4cccc(O)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1cccc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.34 | Num_heavy_atoms: | 26 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD14813
Formula: C11H8ON5
Smiles:
Oc1cccc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.22 | Num_heavy_atoms: | 17 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
