Glycoside
GD021364
Name:
NoneFormula:
C12H16O5N4SSmiles:
OCCSC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCO.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.35 | Num_heavy_atoms: | 22 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD03642
Formula: C3H8OS
Smiles:
CSCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.16 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
