Glycoside
GD117031
Name:
2-(6-amino-8-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C18H21O6N7Smiles:
COc1cc(C=NNc2nc3c(N)ncnc3n2C2OC(CO)C(O)C2O)ccc1OAglycone:
COc1cc(C=NNC2=Nc3c(N)ncnc3[N]2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.41 | Num_heavy_atoms: | 31 |
| TPSA: | 193.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD46590
Formula: C13H12O2N7
Smiles:
COc1cc(C=NNC2=Nc3c(N)ncnc3[N]2)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 132.11 | NumAromaticRings: | 2 |
