Glycoside
GD134015
Name:
1-{6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamideFormula:
C15H18O5N8Smiles:
CN=C(O)c1cnn(-c2nc(N)c3ncn(C4OC(CO)C(O)C4O)c3n2)c1Aglycone:
CN=C(O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.36 | Num_heavy_atoms: | 28 |
| TPSA: | 189.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD54217
Formula: C10H9ON8
Smiles:
CN=C(O)c1cnn(-c2nc(N)c3c(n2)[N]C=N3)c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.24 | Num_heavy_atoms: | 19 |
| TPSA: | 128.67 | NumAromaticRings: | 2 |
