Glycoside
GD004047
Name:
THIOINOSINIC ACIDFormula:
C10H13O7N4PSSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Sc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.28 | Num_heavy_atoms: | 23 |
| TPSA: | 160.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD03587
Formula: C5H3N4S
Smiles:
Sc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.17 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
