Glycoside
GD130900
Name:
2-[(6-hydroxy-9H-purin-9-yl)methyl]-5-(methylsulfanyl)oxolane-3,4-diolFormula:
C11H14O4N4SSmiles:
CSC1OC(Cn2cnc3c(O)ncnc32)C(O)C1OAglycone:
Cn1cnc2c(O)ncnc21Sugarmoiety:
CSC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.32 | Num_heavy_atoms: | 20 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD53047
Formula: C6H6ON4
Smiles:
Cn1cnc2c(O)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 63.83 | NumAromaticRings: | 2 |
