Glycoside
GD115006
Name:
5-Carboxymethylaminomethyl-2-Thiouridine 5'-MonophosphateFormula:
C12H18O10N3PSSmiles:
O=C(O)CNCc1cn(C2OC(COP(=O)(O)O)C(O)C2O)c(=S)nc1OAglycone:
COP(=O)(O)O.O=C(O)CNCc1c[nH]c(=S)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.33 | Num_heavy_atoms: | 27 |
| TPSA: | 203.83 | 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 |
AD45411
Formula: C7H9O3N3S
Smiles:
O=C(O)CNCc1c[nH]c(=S)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 215.23 | Num_heavy_atoms: | 14 |
| TPSA: | 98.24 | NumAromaticRings: | 1 |
