Glycoside
GD123756
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2-phenylethyl)amino]-6,7,8,9-tetrahydro-1H-purin-6-oneFormula:
C18H24O5N6Smiles:
N=c1nc(O)c2c([nH]1)N(C1OC(CO)C(O)C1O)C(NCCc1ccccc1)N2Aglycone:
N=c1nc(O)c2c([nH]1)NC(NCCc1ccccc1)N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.43 | Num_heavy_atoms: | 29 |
| TPSA: | 169.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD49960
Formula: C13H16ON6
Smiles:
N=c1nc(O)c2c([nH]1)NC(NCCc1ccccc1)N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.31 | Num_heavy_atoms: | 20 |
| TPSA: | 108.85 | NumAromaticRings: | 2 |
