Glycoside
GD038630
Name:
2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphateFormula:
C19H25O10N2PSmiles:
Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2OCCOCc2ccccc2)c(=O)[nH]c1=OAglycone:
COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=O.OCCOCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 472.39 | Num_heavy_atoms: | 32 |
| TPSA: | 169.54 | 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 |
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 |
AD24077
Formula: C9H12O2
Smiles:
OCCOCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
