Glycoside
GD118436
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-{[(4-methylphenyl)methyl]amino}-6,9-dihydro-1H-purin-6-oneFormula:
C18H22O5N6Smiles:
Cc1ccc(CN=c2[nH]c3c(O)nc(=N)[nH]c3n2C2OC(CO)C(O)C2O)cc1Aglycone:
Cc1ccc(CN=C2[N]c3[nH]c(=N)nc(O)c3N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.41 | Num_heavy_atoms: | 29 |
| TPSA: | 175.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD47353
Formula: C13H13ON6
Smiles:
Cc1ccc(CN=C2[N]c3[nH]c(=N)nc(O)c3N2)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 269.29 | Num_heavy_atoms: | 20 |
| TPSA: | 111.25 | NumAromaticRings: | 2 |
