Glycoside
GD135740
Name:
2-{2-amino-6-hydroxy-8-[4-(propan-2-yl)piperazin-1-yl]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H27O5N7Smiles:
CC(C)N1CCN(c2nc3c(O)nc(=N)[nH]c3n2C2OC(CO)C(O)C2O)CC1Aglycone:
CC(C)N1CCN(C2=Nc3c(O)nc(=N)[nH]c3[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.45 | Num_heavy_atoms: | 29 |
| TPSA: | 166.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD54883
Formula: C12H18ON7
Smiles:
CC(C)N1CCN(C2=Nc3c(O)nc(=N)[nH]c3[N]2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.32 | Num_heavy_atoms: | 20 |
| TPSA: | 105.7 | NumAromaticRings: | 1 |
