Glycoside
GD131125
Name:
2-[(5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C17H24O9N4Smiles:
Nc1ncnc2c1ccn2C1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.4 | Num_heavy_atoms: | 30 |
| TPSA: | 205.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
