Glycoside
GD127385
Name:
2-(2-{6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-8-yl}hydrazin-1-ylidene)-1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indol-3-oneFormula:
C26H23O5N8ClSmiles:
Nc1ncnc2c1nc(NN=C1C(=O)c3ccccc3N1Cc1ccc(Cl)cc1)n2C1OC(CO)C(O)C1OAglycone:
Nc1ncnc2c1N=C(NN=C1C(=O)c3ccccc3N1Cc1ccc(Cl)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.96 | Num_heavy_atoms: | 39 |
| TPSA: | 184.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD51587
Formula: C21H14ON8Cl
Smiles:
Nc1ncnc2c1N=C(NN=C1C(=O)c3ccccc3N1Cc1ccc(Cl)cc1)[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.84 | Num_heavy_atoms: | 30 |
| TPSA: | 122.96 | NumAromaticRings: | 3 |
