Glycoside
GD070941
Name:
2-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H23O6N5Smiles:
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COAglycone:
CC(=CCNc1ncnc2c1N=C[N]2)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.39 | Num_heavy_atoms: | 27 |
| TPSA: | 166.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD30330
Formula: C10H12ON5
Smiles:
CC(=CCNc1ncnc2c1N=C[N]2)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
