Glycoside
GD040068
Name:
2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphateFormula:
C13H21O9N2PSSmiles:
COCCO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1n1cc(C)c(=O)[nH]c1=SAglycone:
COCCO.COP(=O)(O)O.Cc1c[nH]c(=S)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.36 | Num_heavy_atoms: | 26 |
| TPSA: | 152.47 | NumAromaticRings: | 1 |
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 |
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD24649
Formula: C5H6ON2S
Smiles:
Cc1c[nH]c(=S)[nH]c1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 48.65 | NumAromaticRings: | 1 |
