Glycoside
GD015094
Name:
NoneFormula:
C16H16O5N4Smiles:
OC[C@@H]1OC(n2cnc3c(-c4ccc(O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.33 | Num_heavy_atoms: | 25 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD06747
Formula: C11H7ON4
Smiles:
Oc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.2 | Num_heavy_atoms: | 16 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
