Glycoside
GD123804
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(methylsulfanyl)-6,9-dihydro-1H-purin-6-oneFormula:
C11H14O5N4SSmiles:
CSc1nc2c(O)ncnc2n1C1OC(CO)C(O)C1OAglycone:
CSC1=Nc2c(O)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.32 | Num_heavy_atoms: | 21 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD49982
Formula: C6H5ON4S
Smiles:
CSC1=Nc2c(O)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 181.2 | Num_heavy_atoms: | 12 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
