Glycoside
GD029447
Name:
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-oneFormula:
C11H13O5N3Smiles:
OC[C@@H]1OC(n2ccc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.24 | Num_heavy_atoms: | 19 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD10380
Formula: C6H4ON3
Smiles:
Oc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 60.11 | NumAromaticRings: | 1 |
