Glycoside
GD130269
Name:
2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-9H-purin-2-yl}amino)propanoic acidFormula:
C13H17O7N5Smiles:
CC(N=c1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1)C(=O)OAglycone:
CC(N=c1nc(O)c2c([nH]1)[N]C=N2)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 355.31 | Num_heavy_atoms: | 25 |
| TPSA: | 186.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD48037
Formula: C8H8O3N5
Smiles:
CC(N=c1nc(O)c2c([nH]1)[N]C=N2)C(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.18 | Num_heavy_atoms: | 16 |
| TPSA: | 125.03 | NumAromaticRings: | 1 |
