Glycoside
GD085091
Name:
2-(6-amino-8-{2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C18H21O5N7Smiles:
COc1ccc(/C=N/Nc2nc3c(N)ncnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(C=NNC2=Nc3c(N)ncnc3[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.41 | Num_heavy_atoms: | 30 |
| TPSA: | 173.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD38074
Formula: C13H12ON7
Smiles:
COc1ccc(C=NNC2=Nc3c(N)ncnc3[N]2)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.29 | Num_heavy_atoms: | 21 |
| TPSA: | 111.88 | NumAromaticRings: | 2 |
