Glycoside
GD037819
Name:
2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphateFormula:
C14H24O10N3PSmiles:
Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2OCCON(C)C)c(=O)[nH]c1=OAglycone:
CN(C)OCCO.COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 425.33 | Num_heavy_atoms: | 28 |
| TPSA: | 172.78 | 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 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD23742
Formula: C4H11O2N
Smiles:
CN(C)OCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 105.14 | Num_heavy_atoms: | 7 |
| TPSA: | 32.7 | NumAromaticRings: | 0 |
