Glycoside
GD022963
Name:
methyl 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylateFormula:
C13H16O6N4Smiles:
COC(=O)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COC(=O)C1=C[N]c2ncnc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 152.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD15498
Formula: C8H7O2N4
Smiles:
COC(=O)C1=C[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.17 | Num_heavy_atoms: | 14 |
| TPSA: | 92.2 | NumAromaticRings: | 1 |
