Glycoside
GD118409
Name:
2-(6-amino-8-{2-[1-(2,4-dichlorophenoxy)propan-2-ylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C21H21O5N7Cl2Smiles:
CC(COc1ccc(Cl)cc1Cl)=NNc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1OAglycone:
CC(COc1ccc(Cl)cc1Cl)=NNC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.33 | Num_heavy_atoms: | 33 |
| TPSA: | 173.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD47339
Formula: C16H12ON7Cl2
Smiles:
CC(COc1ccc(Cl)cc1Cl)=NNC1=Nc2c(N)ncnc2[N]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.2 | Num_heavy_atoms: | 24 |
| TPSA: | 111.88 | NumAromaticRings: | 2 |
