Glycoside
GD133353
Name:
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acidFormula:
C12H13O7N3Smiles:
O=C(O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(O)c12Aglycone:
O=C(O)C1=C[N]c2ncnc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.25 | Num_heavy_atoms: | 22 |
| TPSA: | 158.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD53977
Formula: C7H4O3N3
Smiles:
O=C(O)C1=C[N]c2ncnc(O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.13 | Num_heavy_atoms: | 13 |
| TPSA: | 97.41 | NumAromaticRings: | 1 |
