Glycoside
GD038950
Name:
(4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acidFormula:
C12H16O11NPS3Smiles:
O=C(S)C1=CN([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)C=C(C=S)[C@H]1S(=O)(=O)OAglycone:
COP(=O)(O)O.O=C(S)C1=CNC=C(C=S)C1S(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.43 | Num_heavy_atoms: | 28 |
| TPSA: | 191.13 | NumAromaticRings: | 0 |
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 |
AD24205
Formula: C7H7O4NS3
Smiles:
O=C(S)C1=CNC=C(C=S)C1S(=O)(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.34 | Num_heavy_atoms: | 15 |
| TPSA: | 83.47 | NumAromaticRings: | 0 |
