Glycoside
GD070375
Name:
NoneFormula:
C17H18O5N4Smiles:
OC[C@H]1O[C@@H](n2ccc3c(Nc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1ccc(Nc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 132.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD33336
Formula: C12H9ON4
Smiles:
Oc1ccc(Nc2ncnc3c2C=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 72.14 | NumAromaticRings: | 2 |
